6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine

C13H18ClN5 — CID 80965622

IUPAC6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-n2cc(Cl)cn2)nc(C(C)C)n1
InChIInChI=1S/C13H18ClN5/c1-4-5-15-11-6-12(18-13(17-11)9(2)3)19-8-10(14)7-16-19/h6-9H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyHDYMNAGJVQLOGC-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.26
Rot. Bonds5

About 6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80965622) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80965622
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-n2cc(Cl)cn2)nc(C(C)C)n1
InChIInChI=1S/C13H18ClN5/c1-4-5-15-11-6-12(18-13(17-11)9(2)3)19-8-10(14)7-16-19/h6-9H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyHDYMNAGJVQLOGC-UHFFFAOYSA-N
XLogP3.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968945
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-piperidin-1-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955496
6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955490
2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
CID 80852989
6-morpholin-4-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80956097
4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966016
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80965622) is 6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(-n2cc(Cl)cn2)nc(C(C)C)n1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is HDYMNAGJVQLOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-4-5-15-11-6-12(18-13(17-11)9(2)3)19-8-10(14)7-16-19/h6-9H,4-5H2,1-3H3,(H,15,17,18).
What are the key properties of 6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 279.77 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80965622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).