6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine

C13H18ClN5 — CID 80857417

IUPAC6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-n2cc(Cl)cn2)c1C(C)C
InChIInChI=1S/C13H18ClN5/c1-4-5-15-12-11(9(2)3)13(17-8-16-12)19-7-10(14)6-18-19/h6-9H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyZRQWARMDFIRFST-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.26
Rot. Bonds5

About 6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine

6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80857417) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80857417
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-n2cc(Cl)cn2)c1C(C)C
InChIInChI=1S/C13H18ClN5/c1-4-5-15-12-11(9(2)3)13(17-8-16-12)19-7-10(14)6-18-19/h6-9H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyZRQWARMDFIRFST-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-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80749906
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80857269
6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80855091
[6-(4-iodopyrazol-1-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80903935
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 116794391
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80965622
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 80857417) is 6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(-n2cc(Cl)cn2)c1C(C)C.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is ZRQWARMDFIRFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-4-5-15-12-11(9(2)3)13(17-8-16-12)19-7-10(14)6-18-19/h6-9H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 6-(4-chloropyrazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-(4-chloropyrazol-1-yl)-5-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)-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80857417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).