6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride

C16H27Cl2N7 — CID 154902804

About 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride

6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154902804) has the molecular formula C16H27Cl2N7 and a molecular weight of 388.35 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

• Compound Name: 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
• PubChem CID: 154902804
• Molecular Formula: C16H27Cl2N7
• Molecular Weight: 388.35 g/mol
• Exact Mass: 387.17
• IUPAC Name: 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
• SMILES: CCCc1cc(CN(C)c2cc(C3CC(N)C3)nc(N)n2)[nH]n1.Cl.Cl
• InChI: InChI=1S/C16H25N7.2ClH/c1-3-4-12-7-13(22-21-12)9-23(2)15-8-14(19-16(18)20-15)10-5-11(17)6-10;;/h7-8,10-11H,3-6,9,17H2,1-2H3,(H,21,22)(H2,18,19,20);2*1H
• InChIKey: DPPYSJSAHWNQFB-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 109.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.35
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride?

The IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride (CID 154902804) is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride.

What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride?

The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride is CCCc1cc(CN(C)c2cc(C3CC(N)C3)nc(N)n2)[nH]n1.Cl.Cl.

What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride?

The InChIKey is DPPYSJSAHWNQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7.2ClH/c1-3-4-12-7-13(22-21-12)9-23(2)15-8-14(19-16(18)20-15)10-5-11(17)6-10;;/h7-8,10-11H,3-6,9,17H2,1-2H3,(H,21,22)(H2,18,19,20);2*1H.

What are the key properties of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride?

6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 388.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 154902804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).