2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide

C18H24N4O2 — CID 54853653

IUPAC2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1-c1ccccc1OCCC(C)C
InChIInChI=1S/C18H24N4O2/c1-11(2)9-10-24-14-8-6-5-7-13(14)16-15(17(23)20-4)12(3)21-18(19)22-16/h5-8,11H,9-10H2,1-4H3,(H,20,23)(H2,19,21,22)
InChIKeyWFVGPIZYJCHXDR-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.82
Rot. Bonds6

About 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide

2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide (PubChem CID 54853653) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
PubChem CID54853653
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
SMILESCNC(=O)c1c(C)nc(N)nc1-c1ccccc1OCCC(C)C
InChIInChI=1S/C18H24N4O2/c1-11(2)9-10-24-14-8-6-5-7-13(14)16-15(17(23)20-4)12(3)21-18(19)22-16/h5-8,11H,9-10H2,1-4H3,(H,20,23)(H2,19,21,22)
InChIKeyWFVGPIZYJCHXDR-UHFFFAOYSA-N
XLogP2.82
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide 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

2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853960
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54854046
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
2-amino-4-(5-bromo-2-ethoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853690
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853951
2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
CID 54854058

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide (CID 54853653) is 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide is CNC(=O)c1c(C)nc(N)nc1-c1ccccc1OCCC(C)C.
What is the InChIKey of 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
The InChIKey is WFVGPIZYJCHXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)9-10-24-14-8-6-5-7-13(14)16-15(17(23)20-4)12(3)21-18(19)22-16/h5-8,11H,9-10H2,1-4H3,(H,20,23)(H2,19,21,22).
What are the key properties of 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54853653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).