1-heptylpyrimidin-2-imine

C11H19N3 — CID 171383862

IUPAC1-heptylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CCCCCCC
InChIInChI=1S/C11H19N3/c1-2-3-4-5-6-9-14-10-7-8-13-11(14)12/h7-8,10,12H,2-6,9H2,1H3/b12-11+
InChIKeyMJAMVEJILQIVJT-VAWYXSNFSA-N
MW193.29 g/mol
LogP2.33
Rot. Bonds6

About 1-heptylpyrimidin-2-imine

1-heptylpyrimidin-2-imine (PubChem CID 171383862) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-heptylpyrimidin-2-imine.

Molecular Properties

Compound Name1-heptylpyrimidin-2-imine
PubChem CID171383862
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-heptylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CCCCCCC
InChIInChI=1S/C11H19N3/c1-2-3-4-5-6-9-14-10-7-8-13-11(14)12/h7-8,10,12H,2-6,9H2,1H3/b12-11+
InChIKeyMJAMVEJILQIVJT-VAWYXSNFSA-N
XLogP2.33
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.33
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

1-[12-(2-Iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine;hydrobromide
CID 45263801
Pyrimidine, 1,2-dihydro-2-imino-1-propyl-
CID 163661769
1-Butyl-2(1H)-pyrimidinimine
CID 165359023
1-[12-(2-Iminopyrimidin-1-yl)dodecyl]pyrimidin-2-imine
CID 24741520
1-hexyl-2H-pyrimidine
CID 18408618
1-methyl-3-octyl-2H-pyrimidin-1-ium
CID 68980140
1-ethyl-3-octyl-2H-pyrimidin-3-ium
CID 68980714
1-octyl-3-propyl-2H-pyrimidin-3-ium
CID 68982892
1-hexyl-2H-pyrimidin-2-amine
CID 139612863
1-pentyl-2H-pyrimidin-2-amine
CID 139612864
1-octyl-2H-pyrimidine
CID 139947910
1-decyl-2H-pyrimidine
CID 139947931

Frequently Asked Questions

What is the IUPAC name of 1-heptylpyrimidin-2-imine?
The IUPAC name of 1-heptylpyrimidin-2-imine (CID 171383862) is 1-heptylpyrimidin-2-imine.
What is the SMILES notation for 1-heptylpyrimidin-2-imine?
The canonical SMILES for 1-heptylpyrimidin-2-imine is [H]/N=c1\ncccn1CCCCCCC.
What is the InChIKey of 1-heptylpyrimidin-2-imine?
The InChIKey is MJAMVEJILQIVJT-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-3-4-5-6-9-14-10-7-8-13-11(14)12/h7-8,10,12H,2-6,9H2,1H3/b12-11+.
What are the key properties of 1-heptylpyrimidin-2-imine?
1-heptylpyrimidin-2-imine has a molecular weight of 193.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylpyrimidin-2-imine is sourced from PubChem (CID 171383862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).