2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine

C18H25ClN4O2 — CID 112901255

IUPAC2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(Nc2cc(OC)c(Cl)cc2OC)n1
InChIInChI=1S/C18H25ClN4O2/c1-5-9-23(10-6-2)17-7-8-20-18(22-17)21-14-12-15(24-3)13(19)11-16(14)25-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,21,22)
InChIKeyOCMNESZCVLVAOH-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.52
Rot. Bonds9

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

2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112901255) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID112901255
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(Nc2cc(OC)c(Cl)cc2OC)n1
InChIInChI=1S/C18H25ClN4O2/c1-5-9-23(10-6-2)17-7-8-20-18(22-17)21-14-12-15(24-3)13(19)11-16(14)25-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,21,22)
InChIKeyOCMNESZCVLVAOH-UHFFFAOYSA-N
XLogP4.52
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112883652
4-N-tert-butyl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112899784
4-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 112900604
2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112895036
2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901166
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901090
4-N-benzyl-2-N-(3-chloro-4-methoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892955
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903101
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863554
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901225
4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892967
2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899170

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 112901255) is 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1ccnc(Nc2cc(OC)c(Cl)cc2OC)n1.
What is the InChIKey of 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is OCMNESZCVLVAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-5-9-23(10-6-2)17-7-8-20-18(22-17)21-14-12-15(24-3)13(19)11-16(14)25-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,21,22).
What are the key properties of 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine?
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 364.88 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112901255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).