N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine

C16H17N5 — CID 107356998

IUPACN-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1cnc2ccccc2n1
InChIInChI=1S/C16H17N5/c1-2-7-19-16(12-8-17-11-18-9-12)15-10-20-13-5-3-4-6-14(13)21-15/h3-6,8-11,16,19H,2,7H2,1H3
InChIKeyYTNOKTPGKBVNOU-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.51
Rot. Bonds5

About N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine

N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine (PubChem CID 107356998) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
PubChem CID107356998
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1cnc2ccccc2n1
InChIInChI=1S/C16H17N5/c1-2-7-19-16(12-8-17-11-18-9-12)15-10-20-13-5-3-4-6-14(13)21-15/h3-6,8-11,16,19H,2,7H2,1H3
InChIKeyYTNOKTPGKBVNOU-UHFFFAOYSA-N
XLogP2.51
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-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-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63085577
N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357477
N-[(4-methylquinolin-2-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 114755291
N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62489847
N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62491898
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202
N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357164
N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106691644
3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine
CID 107357266
N-[(3-methylphenyl)-quinoxalin-2-ylmethyl]ethanamine
CID 107356920
N-[2-(furan-2-yl)-1-quinoxalin-2-ylethyl]propan-1-amine
CID 107357381
N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923416

Frequently Asked Questions

What is the IUPAC name of N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine (CID 107356998) is N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine is CCCNC(c1cncnc1)c1cnc2ccccc2n1.
What is the InChIKey of N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine?
The InChIKey is YTNOKTPGKBVNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-7-19-16(12-8-17-11-18-9-12)15-10-20-13-5-3-4-6-14(13)21-15/h3-6,8-11,16,19H,2,7H2,1H3.
What are the key properties of N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine?
N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107356998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).