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

C12H13ClN4O2 — CID 80763334

IUPAC5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)ncc2Cl)c(OC)c1
InChIInChI=1S/C12H13ClN4O2/c1-18-7-3-4-9(10(5-7)19-2)16-11-8(13)6-15-12(14)17-11/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyCXWFBPCQSHCMST-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.47
Rot. Bonds4

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

5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 80763334) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID80763334
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)ncc2Cl)c(OC)c1
InChIInChI=1S/C12H13ClN4O2/c1-18-7-3-4-9(10(5-7)19-2)16-11-8(13)6-15-12(14)17-11/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyCXWFBPCQSHCMST-UHFFFAOYSA-N
XLogP2.47
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine (CID 80763334) is 5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(N)ncc2Cl)c(OC)c1.
What is the InChIKey of 5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is CXWFBPCQSHCMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-18-7-3-4-9(10(5-7)19-2)16-11-8(13)6-15-12(14)17-11/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 280.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80763334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).