6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione

C18H27N5O2 — CID 78860414

IUPAC6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
SMILESCC(C)CN(Cc1cccnc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H27N5O2/c1-12(2)9-22(11-14-6-5-7-20-8-14)15-16(19)23(10-13(3)4)18(25)21-17(15)24/h5-8,12-13H,9-11,19H2,1-4H3,(H,21,24,25)
InChIKeyCCEUHYDHRPHANM-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.83
Rot. Bonds7

About 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione

6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione (PubChem CID 78860414) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
PubChem CID78860414
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
SMILESCC(C)CN(Cc1cccnc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H27N5O2/c1-12(2)9-22(11-14-6-5-7-20-8-14)15-16(19)23(10-13(3)4)18(25)21-17(15)24/h5-8,12-13H,9-11,19H2,1-4H3,(H,21,24,25)
InChIKeyCCEUHYDHRPHANM-UHFFFAOYSA-N
XLogP1.83
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)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-5-[(3-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55591309
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 34200466
6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione
CID 60648991
6-amino-5-[(3-chloro-4-methylquinolin-2-yl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 56550716
6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
CID 78807351
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 46594509
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]pyrimidine-2,4-dione
CID 34200596
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 112815851
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 46582615
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388297
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-methyl-N-(2-methylpropyl)butanamide
CID 31288285

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione (CID 78860414) is 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione is CC(C)CN(Cc1cccnc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione?
The InChIKey is CCEUHYDHRPHANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12(2)9-22(11-14-6-5-7-20-8-14)15-16(19)23(10-13(3)4)18(25)21-17(15)24/h5-8,12-13H,9-11,19H2,1-4H3,(H,21,24,25).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione has a molecular weight of 345.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 78860414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).