6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine

C13H18ClN5 — CID 80856969

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C13H18ClN5/c1-5-6-10-12(15-4)16-7-17-13(10)19-9(3)11(14)8(2)18-19/h7H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyVGPQEZUNFNQKQV-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.93
Rot. Bonds4

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 80856969) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine
PubChem CID80856969
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C13H18ClN5/c1-5-6-10-12(15-4)16-7-17-13(10)19-9(3)11(14)8(2)18-19/h7H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyVGPQEZUNFNQKQV-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 63730226
6-indazol-1-yl-N-methyl-5-propylpyrimidin-4-amine
CID 80857647
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-methyl-5-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80857704
6-(3,5-diethylpyrazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82698482
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80857697
6-(2-ethylpyrrolidin-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80791469
6-(3,5-diethyl-1,2,4-triazol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80867685
1-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629646
N-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-propylpyrimidin-4-amine
CID 80810895
5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80857052
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62294980

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine (CID 80856969) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1-n1nc(C)c(Cl)c1C.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is VGPQEZUNFNQKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-5-6-10-12(15-4)16-7-17-13(10)19-9(3)11(14)8(2)18-19/h7H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 279.77 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80856969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).