N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C28H45N5 — CID 159036457

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 159036457) has the molecular formula C28H45N5 and a molecular weight of 451.70 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

• Compound Name: N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
• PubChem CID: 159036457
• Molecular Formula: C28H45N5
• Molecular Weight: 451.70 g/mol
• Exact Mass: 451.37
• IUPAC Name: N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
• SMILES: CN(c1ncnc2[nH]ccc12)C1CCC2CCCCC2C1.CNC1CCC2CCCCC2C1
• InChI: InChI=1S/C17H24N4.C11H21N/c1-21(17-15-8-9-18-16(15)19-11-20-17)14-7-6-12-4-2-3-5-13(12)10-14;1-12-11-7-6-9-4-2-3-5-10(9)8-11/h8-9,11-14H,2-7,10H2,1H3,(H,18,19,20);9-12H,2-8H2,1H3
• InChIKey: JVNBHJKWEFCMSB-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 56.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.70
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?

The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 159036457) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?

The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CN(c1ncnc2[nH]ccc12)C1CCC2CCCCC2C1.CNC1CCC2CCCCC2C1.

What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?

The InChIKey is JVNBHJKWEFCMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.C11H21N/c1-21(17-15-8-9-18-16(15)19-11-20-17)14-7-6-12-4-2-3-5-13(12)10-14;1-12-11-7-6-9-4-2-3-5-10(9)8-11/h8-9,11-14H,2-7,10H2,1H3,(H,18,19,20);9-12H,2-8H2,1H3.

What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 451.70 g/mol, XLogP of 6.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 159036457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).