6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

C15H19ClN4O2 — CID 112854664

IUPAC6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(NC(C)C)ncn2)c(OC)cc1Cl
InChIInChI=1S/C15H19ClN4O2/c1-9(2)19-14-7-15(18-8-17-14)20-11-6-12(21-3)10(16)5-13(11)22-4/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyLNKVDENZPUTWKC-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.71
Rot. Bonds6

About 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112854664) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112854664
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCOc1cc(Nc2cc(NC(C)C)ncn2)c(OC)cc1Cl
InChIInChI=1S/C15H19ClN4O2/c1-9(2)19-14-7-15(18-8-17-14)20-11-6-12(21-3)10(16)5-13(11)22-4/h5-9H,1-4H3,(H2,17,18,19,20)
InChIKeyLNKVDENZPUTWKC-UHFFFAOYSA-N
XLogP3.71
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865727
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112867157
3-N-(4-chloro-2,5-dimethoxyphenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938875
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863554
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112861015
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80913116
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridazin-3-amine
CID 43329630
[6-(4-chloro-2,5-dimethoxyanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345235
4-N-benzyl-6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860547
4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112883652

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112854664) is 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is COc1cc(Nc2cc(NC(C)C)ncn2)c(OC)cc1Cl.
What is the InChIKey of 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is LNKVDENZPUTWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-9(2)19-14-7-15(18-8-17-14)20-11-6-12(21-3)10(16)5-13(11)22-4/h5-9H,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 322.80 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112854664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).