N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine

C15H23N5 — CID 136520198

IUPACN-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
SMILESCc1ncc(C(C)NC(C)Cc2cc(C)[nH]n2)c(C)n1
InChIInChI=1S/C15H23N5/c1-9(6-14-7-10(2)19-20-14)17-11(3)15-8-16-13(5)18-12(15)4/h7-9,11,17H,6H2,1-5H3,(H,19,20)
InChIKeyMLRYMAFKCTYCGC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.41
Rot. Bonds5

About N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine

N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine (PubChem CID 136520198) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
PubChem CID136520198
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
SMILESCc1ncc(C(C)NC(C)Cc2cc(C)[nH]n2)c(C)n1
InChIInChI=1S/C15H23N5/c1-9(6-14-7-10(2)19-20-14)17-11(3)15-8-16-13(5)18-12(15)4/h7-9,11,17H,6H2,1-5H3,(H,19,20)
InChIKeyMLRYMAFKCTYCGC-UHFFFAOYSA-N
XLogP2.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The IUPAC name of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine (CID 136520198) is N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The canonical SMILES for N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine is Cc1ncc(C(C)NC(C)Cc2cc(C)[nH]n2)c(C)n1.
What is the InChIKey of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The InChIKey is MLRYMAFKCTYCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-9(6-14-7-10(2)19-20-14)17-11(3)15-8-16-13(5)18-12(15)4/h7-9,11,17H,6H2,1-5H3,(H,19,20).
What are the key properties of N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 136520198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).