N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine

C15H23N5 — CID 50956229

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1nc(C)cc(N(C)CCn2nc(C)cc2C)n1
InChIInChI=1S/C15H23N5/c1-6-14-16-11(2)10-15(17-14)19(5)7-8-20-13(4)9-12(3)18-20/h9-10H,6-8H2,1-5H3
InChIKeyDZEQUNBGHNLQSM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.30
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 50956229) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID50956229
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1nc(C)cc(N(C)CCn2nc(C)cc2C)n1
InChIInChI=1S/C15H23N5/c1-6-14-16-11(2)10-15(17-14)19(5)7-8-20-13(4)9-12(3)18-20/h9-10H,6-8H2,1-5H3
InChIKeyDZEQUNBGHNLQSM-UHFFFAOYSA-N
XLogP2.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3,5-dimethylpyrazole
CID 565993
2-ethyl-4,6-dimethylpyrimidine
CID 23533396
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine
CID 72854089
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386
2-ethyl-6-[ethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130631933
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56900481
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 124758731
4-N-butyl-2-N,2-N-diethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112924207
4-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80776362
2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 80654966

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine (CID 50956229) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine is CCc1nc(C)cc(N(C)CCn2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is DZEQUNBGHNLQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-6-14-16-11(2)10-15(17-14)19(5)7-8-20-13(4)9-12(3)18-20/h9-10H,6-8H2,1-5H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 50956229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).