6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine

C18H25N7 — CID 91785904

About 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 91785904) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
• PubChem CID: 91785904
• Molecular Formula: C18H25N7
• Molecular Weight: 339.45 g/mol
• Exact Mass: 339.22
• IUPAC Name: 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
• SMILES: Cc1nc(CCNc2cc(C3CC(N)C3)nc(N)n2)nc2c1CCC2
• InChI: InChI=1S/C18H25N7/c1-10-13-3-2-4-14(13)23-16(22-10)5-6-21-17-9-15(24-18(20)25-17)11-7-12(19)8-11/h9,11-12H,2-8,19H2,1H3,(H3,20,21,24,25)
• InChIKey: YOPBXWXJSMWTQM-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 115.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.45
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?

The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine (CID 91785904) is 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?

The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine is Cc1nc(CCNc2cc(C3CC(N)C3)nc(N)n2)nc2c1CCC2.

What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?

The InChIKey is YOPBXWXJSMWTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-10-13-3-2-4-14(13)23-16(22-10)5-6-21-17-9-15(24-18(20)25-17)11-7-12(19)8-11/h9,11-12H,2-8,19H2,1H3,(H3,20,21,24,25).

What are the key properties of 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine?

6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 339.45 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91785904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).