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

C16H21ClN4O2 — CID 112863554

IUPAC6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2cc(OC)c(Cl)cc2OC)ncn1
InChIInChI=1S/C16H21ClN4O2/c1-5-21(6-2)16-9-15(18-10-19-16)20-12-8-13(22-3)11(17)7-14(12)23-4/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFFBWYUVQDPIHHF-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.74
Rot. Bonds7

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

6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine (PubChem CID 112863554) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
PubChem CID112863554
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2cc(OC)c(Cl)cc2OC)ncn1
InChIInChI=1S/C16H21ClN4O2/c1-5-21(6-2)16-9-15(18-10-19-16)20-12-8-13(22-3)11(17)7-14(12)23-4/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFFBWYUVQDPIHHF-UHFFFAOYSA-N
XLogP3.74
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860547
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854664
6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863489
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
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353375
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112861015
4-N-benzyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859540
4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80748285
4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112863500
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine (CID 112863554) is 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine is CCN(CC)c1cc(Nc2cc(OC)c(Cl)cc2OC)ncn1.
What is the InChIKey of 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
The InChIKey is FFBWYUVQDPIHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-5-21(6-2)16-9-15(18-10-19-16)20-12-8-13(22-3)11(17)7-14(12)23-4/h7-10H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine?
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine has a molecular weight of 336.82 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 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,4-N-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 112863554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).