4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine

C14H17ClN4 — CID 80978781

IUPAC4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C14H17ClN4/c1-3-4-12-16-13(15)9(2)14(17-12)19-8-7-11(18-19)10-5-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyNFGGXUHTJZYRLA-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.45
Rot. Bonds4

About 4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine

4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine (PubChem CID 80978781) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine
PubChem CID80978781
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C14H17ClN4/c1-3-4-12-16-13(15)9(2)14(17-12)19-8-7-11(18-19)10-5-6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyNFGGXUHTJZYRLA-UHFFFAOYSA-N
XLogP3.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-cyclopropylpyrazol-1-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80987997
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80971909
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82751091
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841
4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine
CID 80978084
4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine
CID 113380789
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 80980277
4-(3-cyclopropylpyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80857494
1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62490733
5-(3-cyclopropylpyrazol-1-yl)-1-methyl-3-propylpyrazol-4-amine
CID 66019880
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 80979070
6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80978847

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine (CID 80978781) is 4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine?
The InChIKey is NFGGXUHTJZYRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-3-4-12-16-13(15)9(2)14(17-12)19-8-7-11(18-19)10-5-6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine?
4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 80978781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).