4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine

C46H68N18O2 — CID 160615729

About 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine

4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine (PubChem CID 160615729) has the molecular formula C46H68N18O2 and a molecular weight of 905.17 g/mol. Its IUPAC name is 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine.

Molecular Properties

• Compound Name: 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine
• PubChem CID: 160615729
• Molecular Formula: C46H68N18O2
• Molecular Weight: 905.17 g/mol
• Exact Mass: 904.58
• IUPAC Name: 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine
• SMILES: C=C1NC(=O)C(C(C)C)=CN1C.CC(C)Nc1ccnc2c1ncn2C.CC(C)c1cn(C)c(=O)nc1N.CC(C)c1nc(N)c2ncn(C)c2n1.CC(C)c1nc2c(N)ccnc2n1C
• InChI: InChI=1S/2C10H14N4.C9H13N5.C9H14N2O.C8H13N3O/c1-7(2)13-8-4-5-11-10-9(8)12-6-14(10)3;1-6(2)9-13-8-7(11)4-5-12-10(8)14(9)3;1-5(2)8-12-7(10)6-9(13-8)14(3)4-11-6;1-6(2)8-5-11(4)7(3)10-9(8)12;1-5(2)6-4-11(3)8(12)10-7(6)9/h4-7H,1-3H3,(H,11,13);4-6H,1-3H3,(H2,11,12);4-5H,1-3H3,(H2,10,12,13);5-6H,3H2,1-2,4H3,(H,10,12);4-5H,1-3H3,(H2,9,10,12)
• InChIKey: RGBGOACHTSJFOC-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 262.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	905.17
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine?

The IUPAC name of 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine (CID 160615729) is 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine.

What is the SMILES notation for 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine?

The canonical SMILES for 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine is C=C1NC(=O)C(C(C)C)=CN1C.CC(C)Nc1ccnc2c1ncn2C.CC(C)c1cn(C)c(=O)nc1N.CC(C)c1nc(N)c2ncn(C)c2n1.CC(C)c1nc2c(N)ccnc2n1C.

What is the InChIKey of 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine?

The InChIKey is RGBGOACHTSJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N4.C9H13N5.C9H14N2O.C8H13N3O/c1-7(2)13-8-4-5-11-10-9(8)12-6-14(10)3;1-6(2)9-13-8-7(11)4-5-12-10(8)14(9)3;1-5(2)8-12-7(10)6-9(13-8)14(3)4-11-6;1-6(2)8-5-11(4)7(3)10-9(8)12;1-5(2)6-4-11(3)8(12)10-7(6)9/h4-7H,1-3H3,(H,11,13);4-6H,1-3H3,(H2,11,12);4-5H,1-3H3,(H2,10,12,13);5-6H,3H2,1-2,4H3,(H,10,12);4-5H,1-3H3,(H2,9,10,12).

What are the key properties of 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine?

4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine has a molecular weight of 905.17 g/mol, XLogP of 6.08, 6 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine is sourced from PubChem (CID 160615729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).