N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine

C13H19N5 — CID 114557298

IUPACN-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCCNc1ccnc(-c2ccnn2CCC)n1
InChIInChI=1S/C13H19N5/c1-3-7-14-12-6-8-15-13(17-12)11-5-9-16-18(11)10-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,14,15,17)
InChIKeyFDAZJTHMTOQUHA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.57
Rot. Bonds6

About N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine

N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114557298) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114557298
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCCNc1ccnc(-c2ccnn2CCC)n1
InChIInChI=1S/C13H19N5/c1-3-7-14-12-6-8-15-13(17-12)11-5-9-16-18(11)10-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,14,15,17)
InChIKeyFDAZJTHMTOQUHA-UHFFFAOYSA-N
XLogP2.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methoxymethyl)-N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557330
5,6-dimethyl-N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557302
2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 62203835
2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine
CID 106889197
2-(1-ethylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 103570486
2-[[2-amino-6-(2-propylpyrazol-3-yl)pyrimidin-4-yl]amino]ethanol
CID 121499577
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
2-(5-methylthiophen-2-yl)-N-propylpyrimidin-4-amine
CID 62203140
5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine
CID 114556697
2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 114330961
2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79717957

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine (CID 114557298) is N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine is CCCNc1ccnc(-c2ccnn2CCC)n1.
What is the InChIKey of N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is FDAZJTHMTOQUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-7-14-12-6-8-15-13(17-12)11-5-9-16-18(11)10-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,14,15,17).
What are the key properties of N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114557298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).