N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine

C10H17N3 — CID 116898565

IUPACN-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine
SMILESCCc1ccnc(CNC(C)C)n1
InChIInChI=1S/C10H17N3/c1-4-9-5-6-11-10(13-9)7-12-8(2)3/h5-6,8,12H,4,7H2,1-3H3
InChIKeyYBQOYGWNDLSXBG-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.54
Rot. Bonds4

About N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine

N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine (PubChem CID 116898565) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine
PubChem CID116898565
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine
SMILESCCc1ccnc(CNC(C)C)n1
InChIInChI=1S/C10H17N3/c1-4-9-5-6-11-10(13-9)7-12-8(2)3/h5-6,8,12H,4,7H2,1-3H3
InChIKeyYBQOYGWNDLSXBG-UHFFFAOYSA-N
XLogP1.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(butan-2-ylsulfanylmethyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65141143
N-[(4-cyclohexylpyrimidin-2-yl)methyl]propan-2-amine
CID 63318874
N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114824
N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine
CID 130113665
N-[[2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 106849745
N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62747932
N-[[2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62749520
N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 113455494
6-ethyl-N-methyl-N-propan-2-yl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 113381295
N-[[2-(2-methylcyclopropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65421319
N-[[2-(3-ethyl-1,4-dithian-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 115388779
6-ethyl-N-propan-2-yl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 113381466

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine (CID 116898565) is N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine is CCc1ccnc(CNC(C)C)n1.
What is the InChIKey of N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine?
The InChIKey is YBQOYGWNDLSXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-9-5-6-11-10(13-9)7-12-8(2)3/h5-6,8,12H,4,7H2,1-3H3.
What are the key properties of N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine?
N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 116898565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).