4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile

C19H24N6O — CID 126504059

About 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile

4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 126504059) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

• Compound Name: 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile
• PubChem CID: 126504059
• Molecular Formula: C19H24N6O
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.20
• IUPAC Name: 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile
• SMILES: Cc1ccc(CCNc2ncc(C#N)c(NC3C[C@H](O)C3(C)C)n2)cn1
• InChI: InChI=1S/C19H24N6O/c1-12-4-5-13(10-22-12)6-7-21-18-23-11-14(9-20)17(25-18)24-15-8-16(26)19(15,2)3/h4-5,10-11,15-16,26H,6-8H2,1-3H3,(H2,21,23,24,25)/t15?,16-/m0/s1
• InChIKey: ZNGZHDYLMJICAV-LYKKTTPLSA-N
• XLogP: 2.28
• TPSA: 106.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile?

The IUPAC name of 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile (CID 126504059) is 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile.

What is the SMILES notation for 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile?

The canonical SMILES for 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile is Cc1ccc(CCNc2ncc(C#N)c(NC3C[C@H](O)C3(C)C)n2)cn1.

What is the InChIKey of 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile?

The InChIKey is ZNGZHDYLMJICAV-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12-4-5-13(10-22-12)6-7-21-18-23-11-14(9-20)17(25-18)24-15-8-16(26)19(15,2)3/h4-5,10-11,15-16,26H,6-8H2,1-3H3,(H2,21,23,24,25)/t15?,16-/m0/s1.

What are the key properties of 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile?

4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3S)-3-hydroxy-2,2-dimethylcyclobutyl]amino]-2-[2-(6-methyl-3-pyridinyl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 126504059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).