N-butyl-1-methylpyrimidin-2-imine

C9H15N3 — CID 171384684

IUPACN-butyl-1-methylpyrimidin-2-imine
SMILESCCCC/N=c1\ncccn1C
InChIInChI=1S/C9H15N3/c1-3-4-6-10-9-11-7-5-8-12(9)2/h5,7-8H,3-4,6H2,1-2H3/b10-9+
InChIKeyLNBWFRVYWKBTME-MDZDMXLPSA-N
MW165.24 g/mol
LogP1.12
Rot. Bonds3

About N-butyl-1-methylpyrimidin-2-imine

N-butyl-1-methylpyrimidin-2-imine (PubChem CID 171384684) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-butyl-1-methylpyrimidin-2-imine.

Molecular Properties

Compound NameN-butyl-1-methylpyrimidin-2-imine
PubChem CID171384684
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-butyl-1-methylpyrimidin-2-imine
SMILESCCCC/N=c1\ncccn1C
InChIInChI=1S/C9H15N3/c1-3-4-6-10-9-11-7-5-8-12(9)2/h5,7-8H,3-4,6H2,1-2H3/b10-9+
InChIKeyLNBWFRVYWKBTME-MDZDMXLPSA-N
XLogP1.12
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-Methyl-2(1H)-pyrimidinylidene)methanamine
CID 21719087
Pyrimidine, 2-ethylimino-1,2-dihydro-1-methyl-
CID 89030559
Pyrimidine, 1-ethyl-1,2-dihydro-2-methylimino-
CID 142258453
1-Butyl-2(1H)-pyrimidinimine
CID 165359023
Pyrimidine, 2-allylimino-1,2-dihydro-1-propyl-
CID 171384034
Pyrimidine, 1-butyl-1,2-dihydro-2-methylimino-
CID 171384475
Pyrimidine, 1-allyl-1,2-dihydro-2-propylimino-
CID 171384509
1-Methylpyrimidine
CID 18974088
N,S-dimethyl-dihydropyrimidine
CID 22604951
n-Vinylpyrimidine
CID 23364352
1-ethyl-2H-pyrimidine
CID 22646239
1,3-dimethyl-2H-pyrimidin-3-ium
CID 23148567

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methylpyrimidin-2-imine?
The IUPAC name of N-butyl-1-methylpyrimidin-2-imine (CID 171384684) is N-butyl-1-methylpyrimidin-2-imine.
What is the SMILES notation for N-butyl-1-methylpyrimidin-2-imine?
The canonical SMILES for N-butyl-1-methylpyrimidin-2-imine is CCCC/N=c1\ncccn1C.
What is the InChIKey of N-butyl-1-methylpyrimidin-2-imine?
The InChIKey is LNBWFRVYWKBTME-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-4-6-10-9-11-7-5-8-12(9)2/h5,7-8H,3-4,6H2,1-2H3/b10-9+.
What are the key properties of N-butyl-1-methylpyrimidin-2-imine?
N-butyl-1-methylpyrimidin-2-imine has a molecular weight of 165.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methylpyrimidin-2-imine is sourced from PubChem (CID 171384684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).