N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine

C34H40FN5 — CID 170440746

About N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine

N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine (PubChem CID 170440746) has the molecular formula C34H40FN5 and a molecular weight of 537.73 g/mol. Its IUPAC name is N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine
• PubChem CID: 170440746
• Molecular Formula: C34H40FN5
• Molecular Weight: 537.73 g/mol
• Exact Mass: 537.33
• IUPAC Name: N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine
• SMILES: Cc1cc(-c2ccc(C(C)(C)Nc3nc(-c4ccc(CC5CC5)cc4)nc(C)c3C)cc2F)nc(N)c1C(C)C
• InChI: InChI=1S/C34H40FN5/c1-19(2)30-20(3)16-29(38-31(30)36)27-15-14-26(18-28(27)35)34(6,7)40-32-21(4)22(5)37-33(39-32)25-12-10-24(11-13-25)17-23-8-9-23/h10-16,18-19,23H,8-9,17H2,1-7H3,(H2,36,38)(H,37,39,40)
• InChIKey: GVMJCAXIHNIZSY-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 76.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.73
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine?

The IUPAC name of N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine (CID 170440746) is N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine.

What is the SMILES notation for N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine?

The canonical SMILES for N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine is Cc1cc(-c2ccc(C(C)(C)Nc3nc(-c4ccc(CC5CC5)cc4)nc(C)c3C)cc2F)nc(N)c1C(C)C.

What is the InChIKey of N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine?

The InChIKey is GVMJCAXIHNIZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40FN5/c1-19(2)30-20(3)16-29(38-31(30)36)27-15-14-26(18-28(27)35)34(6,7)40-32-21(4)22(5)37-33(39-32)25-12-10-24(11-13-25)17-23-8-9-23/h10-16,18-19,23H,8-9,17H2,1-7H3,(H2,36,38)(H,37,39,40).

What are the key properties of N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine?

N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine has a molecular weight of 537.73 g/mol, XLogP of 8.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(6-amino-4-methyl-5-propan-2-yl-2-pyridinyl)-3-fluorophenyl]propan-2-yl]-2-[4-(cyclopropylmethyl)phenyl]-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 170440746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).