6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine

C14H17ClN4O — CID 19135502

IUPAC6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
SMILESCCCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1N
InChIInChI=1S/C14H17ClN4O/c1-3-6-17-13-12(16)14(19-8-18-13)20-10-4-5-11(15)9(2)7-10/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,18,19)
InChIKeyLECAJWWZXAKHRO-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.63
Rot. Bonds5

About 6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine

6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine (PubChem CID 19135502) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
PubChem CID19135502
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
SMILESCCCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1N
InChIInChI=1S/C14H17ClN4O/c1-3-6-17-13-12(16)14(19-8-18-13)20-10-4-5-11(15)9(2)7-10/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,18,19)
InChIKeyLECAJWWZXAKHRO-UHFFFAOYSA-N
XLogP3.63
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
CID 19150391
6-(4-chloro-3-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19153260
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547316
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine
CID 19147139
6-(4-chloro-3-methylphenoxy)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19153230
N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide
CID 19150655
4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19134955
4-N-hexadecyl-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543641

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine?
The IUPAC name of 6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine (CID 19135502) is 6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine is CCCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1N.
What is the InChIKey of 6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine?
The InChIKey is LECAJWWZXAKHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-6-17-13-12(16)14(19-8-18-13)20-10-4-5-11(15)9(2)7-10/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine?
6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 19135502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).