1-propylpyrimidin-2-imine

C7H11N3 — CID 163661769

IUPAC1-propylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CCC
InChIInChI=1S/C7H11N3/c1-2-5-10-6-3-4-9-7(10)8/h3-4,6,8H,2,5H2,1H3/b8-7+
InChIKeyIVAWJHQJDVWWMP-BQYQJAHWSA-N
MW137.19 g/mol
LogP0.77
Rot. Bonds2

About 1-propylpyrimidin-2-imine

1-propylpyrimidin-2-imine (PubChem CID 163661769) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-propylpyrimidin-2-imine.

Molecular Properties

Compound Name1-propylpyrimidin-2-imine
PubChem CID163661769
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-propylpyrimidin-2-imine
SMILES[H]/N=c1\ncccn1CCC
InChIInChI=1S/C7H11N3/c1-2-5-10-6-3-4-9-7(10)8/h3-4,6,8H,2,5H2,1H3/b8-7+
InChIKeyIVAWJHQJDVWWMP-BQYQJAHWSA-N
XLogP0.77
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Imino-1-methyl-1,2-dihydro-pyrimidine
CID 417750
Pyrimidine, 1-ethyl-1,2-dihydro-2-imino-
CID 119098027
Pyrimidine, 1-ethyl-1,2-dihydro-2-methylimino-
CID 142258453
2-Imino-1-(2-propynyl)pyrimidine
CID 51350198
Pyrimidine, 1-allyl-1,2-dihydro-2-imino-
CID 129348178
1-Butyl-2(1H)-pyrimidinimine
CID 165359023
Pyrimidine, 1-heptyl-1,2-dihydro-2-imino-
CID 171383862
Pyrimidine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 171383916
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
Pyrimidine-3-carboxamidine
CID 129792498

Frequently Asked Questions

What is the IUPAC name of 1-propylpyrimidin-2-imine?
The IUPAC name of 1-propylpyrimidin-2-imine (CID 163661769) is 1-propylpyrimidin-2-imine.
What is the SMILES notation for 1-propylpyrimidin-2-imine?
The canonical SMILES for 1-propylpyrimidin-2-imine is [H]/N=c1\ncccn1CCC.
What is the InChIKey of 1-propylpyrimidin-2-imine?
The InChIKey is IVAWJHQJDVWWMP-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-5-10-6-3-4-9-7(10)8/h3-4,6,8H,2,5H2,1H3/b8-7+.
What are the key properties of 1-propylpyrimidin-2-imine?
1-propylpyrimidin-2-imine has a molecular weight of 137.19 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrimidin-2-imine is sourced from PubChem (CID 163661769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).