N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide

C25H35N7O4 — CID 135519899

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C25H35N7O4/c1-6-30(13-19-27-18-10-8-7-9-17(18)23(34)28-19)14-20(33)31(11-15(2)3)21-22(26)32(12-16(4)5)25(36)29-24(21)35/h7-10,15-16H,6,11-14,26H2,1-5H3,(H,27,28,34)(H,29,35,36)
InChIKeyKRJMUDGTCWQCCA-UHFFFAOYSA-N
MW497.60 g/mol
LogP1.52
Rot. Bonds10

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 135519899) has the molecular formula C25H35N7O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide
PubChem CID135519899
Molecular FormulaC25H35N7O4
Molecular Weight497.60 g/mol
Exact Mass497.28
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C25H35N7O4/c1-6-30(13-19-27-18-10-8-7-9-17(18)23(34)28-19)14-20(33)31(11-15(2)3)21-22(26)32(12-16(4)5)25(36)29-24(21)35/h7-10,15-16H,6,11-14,26H2,1-5H3,(H,27,28,34)(H,29,35,36)
InChIKeyKRJMUDGTCWQCCA-UHFFFAOYSA-N
XLogP1.52
TPSA150.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide (CID 135519899) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide is CCN(CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is KRJMUDGTCWQCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O4/c1-6-30(13-19-27-18-10-8-7-9-17(18)23(34)28-19)14-20(33)31(11-15(2)3)21-22(26)32(12-16(4)5)25(36)29-24(21)35/h7-10,15-16H,6,11-14,26H2,1-5H3,(H,27,28,34)(H,29,35,36).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 497.60 g/mol, XLogP of 1.52, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 135519899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).