2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide

C12H13N5O2 — CID 16792148

IUPAC2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)nc(N)nc1OCc1ccccc1
InChIInChI=1S/C12H13N5O2/c13-9-8(10(14)18)11(17-12(15)16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,18)(H4,13,15,16,17)
InChIKeyXXQDCJYEDVKRAL-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.32
Rot. Bonds4

About 2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide

2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide (PubChem CID 16792148) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide
PubChem CID16792148
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)nc(N)nc1OCc1ccccc1
InChIInChI=1S/C12H13N5O2/c13-9-8(10(14)18)11(17-12(15)16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,18)(H4,13,15,16,17)
InChIKeyXXQDCJYEDVKRAL-UHFFFAOYSA-N
XLogP0.32
TPSA130.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,4-diamino-6-phenylmethoxypyrimidine-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

5-amino-6-phenylmethoxypyridine-2-carboxamide
CID 114408377
tribenzyl 2-aminopyrimidine-4,5,6-tricarboxylate
CID 167060658
(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate
CID 146503029
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
(2-amino-6-phenylmethoxypurin-9-yl)methanol
CID 91583081
methyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
CID 10425718
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine
CID 24961708
5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300
4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide
CID 90082540
2-amino-4-phenoxy-6-phenylpyrimidine-5-carboxamide
CID 69092284

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide?
The IUPAC name of 2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide (CID 16792148) is 2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide?
The canonical SMILES for 2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide is NC(=O)c1c(N)nc(N)nc1OCc1ccccc1.
What is the InChIKey of 2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide?
The InChIKey is XXQDCJYEDVKRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-9-8(10(14)18)11(17-12(15)16-9)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,18)(H4,13,15,16,17).
What are the key properties of 2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide?
2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-phenylmethoxypyrimidine-5-carboxamide is sourced from PubChem (CID 16792148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).