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

C12H15N5 — CID 62756954

IUPACN-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ncccn2)nc1
InChIInChI=1S/C12H15N5/c1-2-4-13-7-10-8-16-12(17-9-10)11-14-5-3-6-15-11/h3,5-6,8-9,13H,2,4,7H2,1H3
InChIKeyRTUQEPJRXHSAAV-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.43
Rot. Bonds5

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

N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 62756954) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
PubChem CID62756954
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ncccn2)nc1
InChIInChI=1S/C12H15N5/c1-2-4-13-7-10-8-16-12(17-9-10)11-14-5-3-6-15-11/h3,5-6,8-9,13H,2,4,7H2,1H3
InChIKeyRTUQEPJRXHSAAV-UHFFFAOYSA-N
XLogP1.43
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-pyrimidin-2-ylpyrimidin-5-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-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
CID 62757310
4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol
CID 136889396
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
N-[[2-(3,5-dimethoxyphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103399703
N-[[2-(2-methylpropyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756597
N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103375185
N-[[2-(propylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65129243
N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 116633397
N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 121405389
N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 114553106
N-[[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62757503

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine (CID 62756954) is N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine is CCCNCc1cnc(-c2ncccn2)nc1.
What is the InChIKey of N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is RTUQEPJRXHSAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-4-13-7-10-8-16-12(17-9-10)11-14-5-3-6-15-11/h3,5-6,8-9,13H,2,4,7H2,1H3.
What are the key properties of N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine?
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 229.29 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 N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 62756954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).