6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine

C12H17N5 — CID 113442450

IUPAC6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cc(NCCc2ccnn2C)ncn1
InChIInChI=1S/C12H17N5/c1-3-10-8-12(15-9-14-10)13-6-4-11-5-7-16-17(11)2/h5,7-9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyGCGNUNDUUWOVJN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.43
Rot. Bonds5

About 6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine

6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 113442450) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID113442450
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1cc(NCCc2ccnn2C)ncn1
InChIInChI=1S/C12H17N5/c1-3-10-8-12(15-9-14-10)13-6-4-11-5-7-16-17(11)2/h5,7-9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyGCGNUNDUUWOVJN-UHFFFAOYSA-N
XLogP1.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 104696057
6-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129337249
6-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129337250
2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 104925404
1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-amine
CID 103001663
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 103007831
2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001281
6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 103007760
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 103012384
6-hydrazinyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidin-4-amine
CID 103012689

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine (CID 113442450) is 6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine is CCc1cc(NCCc2ccnn2C)ncn1.
What is the InChIKey of 6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is GCGNUNDUUWOVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-10-8-12(15-9-14-10)13-6-4-11-5-7-16-17(11)2/h5,7-9H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine?
6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 113442450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).