4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine

C14H19ClN4 — CID 80978002

IUPAC4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1-n1ccc(C(C)C)n1
InChIInChI=1S/C14H19ClN4/c1-8(2)11-6-7-19(18-11)14-10(5)12(15)16-13(17-14)9(3)4/h6-9H,1-5H3
InChIKeyYRCPEGONZPGWDX-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.87
Rot. Bonds3

About 4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine

4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine (PubChem CID 80978002) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine
PubChem CID80978002
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1-n1ccc(C(C)C)n1
InChIInChI=1S/C14H19ClN4/c1-8(2)11-6-7-19(18-11)14-10(5)12(15)16-13(17-14)9(3)4/h6-9H,1-5H3
InChIKeyYRCPEGONZPGWDX-UHFFFAOYSA-N
XLogP3.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine (CID 80978002) is 4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine is Cc1c(Cl)nc(C(C)C)nc1-n1ccc(C(C)C)n1.
What is the InChIKey of 4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine?
The InChIKey is YRCPEGONZPGWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-8(2)11-6-7-19(18-11)14-10(5)12(15)16-13(17-14)9(3)4/h6-9H,1-5H3.
What are the key properties of 4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine?
4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine has a molecular weight of 278.79 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 80978002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).