2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide

C26H38N4O4 — CID 171442038

About 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide

2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide (PubChem CID 171442038) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 171442038
• Molecular Formula: C26H38N4O4
• Molecular Weight: 470.61 g/mol
• Exact Mass: 470.29
• IUPAC Name: 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide
• SMILES: CCC1(C)CC(NC(=O)C2CC2C(CCOC)N2C(=O)CC(C)(C)N=C2N)c2ccccc2O1
• InChI: InChI=1S/C26H38N4O4/c1-6-26(4)14-19(16-9-7-8-10-21(16)34-26)28-23(32)18-13-17(18)20(11-12-33-5)30-22(31)15-25(2,3)29-24(30)27/h7-10,17-20H,6,11-15H2,1-5H3,(H2,27,29)(H,28,32)
• InChIKey: ZLOBMRJNRYAZEZ-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 106.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.61
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide (CID 171442038) is 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide is CCC1(C)CC(NC(=O)C2CC2C(CCOC)N2C(=O)CC(C)(C)N=C2N)c2ccccc2O1.

What is the InChIKey of 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide?

The InChIKey is ZLOBMRJNRYAZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-6-26(4)14-19(16-9-7-8-10-21(16)34-26)28-23(32)18-13-17(18)20(11-12-33-5)30-22(31)15-25(2,3)29-24(30)27/h7-10,17-20H,6,11-15H2,1-5H3,(H2,27,29)(H,28,32).

What are the key properties of 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide?

2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide has a molecular weight of 470.61 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171442038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).