6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione

C21H27ClN6O2 — CID 22108959

IUPAC6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione
SMILESCC(C)CCN(Cc1ncc(Cl)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H27ClN6O2/c1-14(2)9-10-27(13-17-24-11-16(22)26(17)3)18-19(23)28(21(30)25-20(18)29)12-15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13,23H2,1-3H3,(H,25,29,30)
InChIKeySHKAVCFQMMKIMP-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.61
Rot. Bonds8

About 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione (PubChem CID 22108959) has the molecular formula C21H27ClN6O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione
PubChem CID22108959
Molecular FormulaC21H27ClN6O2
Molecular Weight430.94 g/mol
Exact Mass430.19
IUPAC Name6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione
SMILESCC(C)CCN(Cc1ncc(Cl)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H27ClN6O2/c1-14(2)9-10-27(13-17-24-11-16(22)26(17)3)18-19(23)28(21(30)25-20(18)29)12-15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13,23H2,1-3H3,(H,25,29,30)
InChIKeySHKAVCFQMMKIMP-UHFFFAOYSA-N
XLogP2.61
TPSA101.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

6-amino-1-benzyl-5-[3-methylbutyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione
CID 18283936
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-phenoxyacetamide
CID 4805512
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(3-methylbutyl)pentanamide
CID 9101793
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2,2-diphenylacetamide
CID 4816328
(1S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2,2-dichloro-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 31302792
6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
CID 78807351
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylbutanamide
CID 24686728
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 46595309
6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 112808531
6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione
CID 34646156
6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione
CID 16605848
6-amino-1-benzyl-5-[benzyl(2-morpholin-4-ylethyl)amino]pyrimidine-2,4-dione
CID 60575810

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione (CID 22108959) is 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione is CC(C)CCN(Cc1ncc(Cl)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione?
The InChIKey is SHKAVCFQMMKIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O2/c1-14(2)9-10-27(13-17-24-11-16(22)26(17)3)18-19(23)28(21(30)25-20(18)29)12-15-7-5-4-6-8-15/h4-8,11,14H,9-10,12-13,23H2,1-3H3,(H,25,29,30).
What are the key properties of 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione has a molecular weight of 430.94 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(3-methylbutyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 22108959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).