4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine

C14H17ClN4O2 — CID 82458569

IUPAC4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
SMILESCOCc1nc(NCc2ccc(Cl)cc2)c(N)c(OC)n1
InChIInChI=1S/C14H17ClN4O2/c1-20-8-11-18-13(12(16)14(19-11)21-2)17-7-9-3-5-10(15)6-4-9/h3-6H,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyXLUWAJRTZBJOQF-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.48
Rot. Bonds6

About 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine

4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine (PubChem CID 82458569) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
PubChem CID82458569
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
SMILESCOCc1nc(NCc2ccc(Cl)cc2)c(N)c(OC)n1
InChIInChI=1S/C14H17ClN4O2/c1-20-8-11-18-13(12(16)14(19-11)21-2)17-7-9-3-5-10(15)6-4-9/h3-6H,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyXLUWAJRTZBJOQF-UHFFFAOYSA-N
XLogP2.48
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455360
6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82459444
4-N-[(4-chlorophenyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19150555
6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine
CID 82456062
6-butoxy-4-N-[(4-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 82455263
2-ethyl-4-N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82455616
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020
5-bromo-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 80765163
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701
4-N-[(4-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145582
6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543926

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine (CID 82458569) is 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine is COCc1nc(NCc2ccc(Cl)cc2)c(N)c(OC)n1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine?
The InChIKey is XLUWAJRTZBJOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-20-8-11-18-13(12(16)14(19-11)21-2)17-7-9-3-5-10(15)6-4-9/h3-6H,7-8,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine?
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine has a molecular weight of 308.77 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).