6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine

C13H15ClFN5O — CID 162767108

IUPAC6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine
SMILESCOc1cc(C)c(CNc2nc(N)nc(Cl)c2N)cc1F
InChIInChI=1S/C13H15ClFN5O/c1-6-3-9(21-2)8(15)4-7(6)5-18-12-10(16)11(14)19-13(17)20-12/h3-4H,5,16H2,1-2H3,(H3,17,18,19,20)
InChIKeyRWXPZXVWOIGJMV-UHFFFAOYSA-N
MW311.75 g/mol
LogP2.36
Rot. Bonds4

About 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine

6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine (PubChem CID 162767108) has the molecular formula C13H15ClFN5O and a molecular weight of 311.75 g/mol. Its IUPAC name is 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine
PubChem CID162767108
Molecular FormulaC13H15ClFN5O
Molecular Weight311.75 g/mol
Exact Mass311.09
IUPAC Name6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine
SMILESCOc1cc(C)c(CNc2nc(N)nc(Cl)c2N)cc1F
InChIInChI=1S/C13H15ClFN5O/c1-6-3-9(21-2)8(15)4-7(6)5-18-12-10(16)11(14)19-13(17)20-12/h3-4H,5,16H2,1-2H3,(H3,17,18,19,20)
InChIKeyRWXPZXVWOIGJMV-UHFFFAOYSA-N
XLogP2.36
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine with MolForge

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Related Compounds

6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine
CID 143021199
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347
2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine
CID 142795365
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline
CID 783773
8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine
CID 19988693
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455360
(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine
CID 130691517
5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one
CID 142193890

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine (CID 162767108) is 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine is COc1cc(C)c(CNc2nc(N)nc(Cl)c2N)cc1F.
What is the InChIKey of 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine?
The InChIKey is RWXPZXVWOIGJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5O/c1-6-3-9(21-2)8(15)4-7(6)5-18-12-10(16)11(14)19-13(17)20-12/h3-4H,5,16H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine?
6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine has a molecular weight of 311.75 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 162767108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).