N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine

C9H15N3 — CID 46785088

IUPACN-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1ccnc(C)n1
InChIInChI=1S/C9H15N3/c1-3-5-10-7-9-4-6-11-8(2)12-9/h4,6,10H,3,5,7H2,1-2H3
InChIKeyZGRSWHVECPYDPE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.28
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine

N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 46785088) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID46785088
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1ccnc(C)n1
InChIInChI=1S/C9H15N3/c1-3-5-10-7-9-4-6-11-8(2)12-9/h4,6,10H,3,5,7H2,1-2H3
InChIKeyZGRSWHVECPYDPE-UHFFFAOYSA-N
XLogP1.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
4,4,4-trifluoro-N-[(2-methylpyrimidin-4-yl)methyl]butan-1-amine
CID 115513579
N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62746833
N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615427
N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 62326409
7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine
CID 62747506
2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]acetamide
CID 106236339
2-(azepan-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748782
N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723335
N'-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanimidamide
CID 77030166
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine (CID 46785088) is N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine is CCCNCc1ccnc(C)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is ZGRSWHVECPYDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-5-10-7-9-4-6-11-8(2)12-9/h4,6,10H,3,5,7H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine?
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 46785088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).