2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide

C30H39N5O3 — CID 171442037

About 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide

2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide (PubChem CID 171442037) has the molecular formula C30H39N5O3 and a molecular weight of 517.67 g/mol. Its IUPAC name is 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide
• PubChem CID: 171442037
• Molecular Formula: C30H39N5O3
• Molecular Weight: 517.67 g/mol
• Exact Mass: 517.31
• IUPAC Name: 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide
• SMILES: CCC1(CC)CC(=O)N(C(c2cccnc2)C2C(C)C2C(=O)NC2CC(C)(C)Oc3ccccc32)C(N)=N1
• InChI: InChI=1S/C30H39N5O3/c1-6-30(7-2)16-23(36)35(28(31)34-30)26(19-11-10-14-32-17-19)24-18(3)25(24)27(37)33-21-15-29(4,5)38-22-13-9-8-12-20(21)22/h8-14,17-18,21,24-26H,6-7,15-16H2,1-5H3,(H2,31,34)(H,33,37)
• InChIKey: IKWXIZBRYICDGE-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 109.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.67
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide?

The IUPAC name of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide (CID 171442037) is 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide.

What is the SMILES notation for 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide?

The canonical SMILES for 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide is CCC1(CC)CC(=O)N(C(c2cccnc2)C2C(C)C2C(=O)NC2CC(C)(C)Oc3ccccc32)C(N)=N1.

What is the InChIKey of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide?

The InChIKey is IKWXIZBRYICDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O3/c1-6-30(7-2)16-23(36)35(28(31)34-30)26(19-11-10-14-32-17-19)24-18(3)25(24)27(37)33-21-15-29(4,5)38-22-13-9-8-12-20(21)22/h8-14,17-18,21,24-26H,6-7,15-16H2,1-5H3,(H2,31,34)(H,33,37).

What are the key properties of 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide?

2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide has a molecular weight of 517.67 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171442037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).