6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine

C18H17Cl2N5O2 — CID 19142724

IUPAC6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(OC)c(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)c1
InChIInChI=1S/C18H17Cl2N5O2/c1-26-11-4-6-15(27-2)14(8-11)25-18-16(21)17(22-9-23-18)24-13-5-3-10(19)7-12(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyFTWGIVZXHBYOTP-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.87
Rot. Bonds6

About 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine

6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19142724) has the molecular formula C18H17Cl2N5O2 and a molecular weight of 406.27 g/mol. Its IUPAC name is 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19142724
Molecular FormulaC18H17Cl2N5O2
Molecular Weight406.27 g/mol
Exact Mass405.08
IUPAC Name6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(OC)c(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)c1
InChIInChI=1S/C18H17Cl2N5O2/c1-26-11-4-6-15(27-2)14(8-11)25-18-16(21)17(22-9-23-18)24-13-5-3-10(19)7-12(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyFTWGIVZXHBYOTP-UHFFFAOYSA-N
XLogP4.87
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142786
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-N-(4-butoxyphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545988
4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 22546079
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
6-N-(2,4-dichlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544993
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
N-[4-[[5-amino-6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 22546092
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine (CID 19142724) is 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine is COc1ccc(OC)c(Nc2ncnc(Nc3ccc(Cl)cc3Cl)c2N)c1.
What is the InChIKey of 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is FTWGIVZXHBYOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2/c1-26-11-4-6-15(27-2)14(8-11)25-18-16(21)17(22-9-23-18)24-13-5-3-10(19)7-12(13)20/h3-9H,21H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 406.27 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).