N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide

C21H37N5O3 — CID 2507215

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN(C)C1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H37N5O3/c1-14(2)11-25(17(27)13-24(5)16-9-7-6-8-10-16)18-19(22)26(12-15(3)4)21(29)23-20(18)28/h14-16H,6-13,22H2,1-5H3,(H,23,28,29)
InChIKeyHTOBNKFGDPSGRM-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.03
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 2507215) has the molecular formula C21H37N5O3 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID2507215
Molecular FormulaC21H37N5O3
Molecular Weight407.56 g/mol
Exact Mass407.29
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN(C)C1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H37N5O3/c1-14(2)11-25(17(27)13-24(5)16-9-7-6-8-10-16)18-19(22)26(12-15(3)4)21(29)23-20(18)28/h14-16H,6-13,22H2,1-5H3,(H,23,28,29)
InChIKeyHTOBNKFGDPSGRM-UHFFFAOYSA-N
XLogP2.03
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide (CID 2507215) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CN(C)C1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is HTOBNKFGDPSGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O3/c1-14(2)11-25(17(27)13-24(5)16-9-7-6-8-10-16)18-19(22)26(12-15(3)4)21(29)23-20(18)28/h14-16H,6-13,22H2,1-5H3,(H,23,28,29).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[cyclohexyl(methyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 2507215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).