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

C14H21N5 — CID 72877267

IUPAC5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCc1cnc(NCc2c(C)nn(CC)c2C)nc1
InChIInChI=1S/C14H21N5/c1-5-12-7-15-14(16-8-12)17-9-13-10(3)18-19(6-2)11(13)4/h7-8H,5-6,9H2,1-4H3,(H,15,16,17)
InChIKeyYIWUDTSVHKZZSP-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.48
Rot. Bonds5

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

5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 72877267) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID72877267
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCc1cnc(NCc2c(C)nn(CC)c2C)nc1
InChIInChI=1S/C14H21N5/c1-5-12-7-15-14(16-8-12)17-9-13-10(3)18-19(6-2)11(13)4/h7-8H,5-6,9H2,1-4H3,(H,15,16,17)
InChIKeyYIWUDTSVHKZZSP-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile
CID 2766549
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 30464906
N-(1,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-2-pyrimidinamine
CID 134129122
4,6-Dimethyl-2-pyrazol-1-ylpyrimidine
CID 13880919
4-N,4-N,6-trimethyl-2-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 56778066
4-N,4-N,6-trimethyl-2-N-[1-(4-methylpyrazol-1-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 56778067
N-methyl-5-{[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl}-2-pyrimidinamine dihydrochloride
CID 56916230
N-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-1-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70755138
6-isopropyl-N~4~-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methyl}pyrimidine-2,4-diamine
CID 72866942
5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337
N-[(6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
CID 97516909

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine (CID 72877267) is 5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine is CCc1cnc(NCc2c(C)nn(CC)c2C)nc1.
What is the InChIKey of 5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is YIWUDTSVHKZZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-12-7-15-14(16-8-12)17-9-13-10(3)18-19(6-2)11(13)4/h7-8H,5-6,9H2,1-4H3,(H,15,16,17).
What are the key properties of 5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 259.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 72877267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).