6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine

C15H18ClN3 — CID 63735436

IUPAC6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1cc(C)ccc1C
InChIInChI=1S/C15H18ClN3/c1-4-5-12-14(16)17-9-18-15(12)19-13-8-10(2)6-7-11(13)3/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyUKMZTFRWJJOSKE-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.44
Rot. Bonds4

About 6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine

6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine (PubChem CID 63735436) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
PubChem CID63735436
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1Nc1cc(C)ccc1C
InChIInChI=1S/C15H18ClN3/c1-4-5-12-14(16)17-9-18-15(12)19-13-8-10(2)6-7-11(13)3/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyUKMZTFRWJJOSKE-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine (CID 63735436) is 6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1Nc1cc(C)ccc1C.
What is the InChIKey of 6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine?
The InChIKey is UKMZTFRWJJOSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-4-5-12-14(16)17-9-18-15(12)19-13-8-10(2)6-7-11(13)3/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine?
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63735436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).