N-prop-2-enyl-1-propylpyrimidin-2-imine

C10H15N3 — CID 171384034

IUPACN-prop-2-enyl-1-propylpyrimidin-2-imine
SMILESC=CC/N=c1\ncccn1CCC
InChIInChI=1S/C10H15N3/c1-3-6-11-10-12-7-5-9-13(10)8-4-2/h3,5,7,9H,1,4,6,8H2,2H3/b11-10+
InChIKeyMDWDJOLWSWLIHT-ZHACJKMWSA-N
MW177.25 g/mol
LogP1.38
Rot. Bonds4

About N-prop-2-enyl-1-propylpyrimidin-2-imine

N-prop-2-enyl-1-propylpyrimidin-2-imine (PubChem CID 171384034) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-prop-2-enyl-1-propylpyrimidin-2-imine.

Molecular Properties

Compound NameN-prop-2-enyl-1-propylpyrimidin-2-imine
PubChem CID171384034
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-prop-2-enyl-1-propylpyrimidin-2-imine
SMILESC=CC/N=c1\ncccn1CCC
InChIInChI=1S/C10H15N3/c1-3-6-11-10-12-7-5-9-13(10)8-4-2/h3,5,7,9H,1,4,6,8H2,2H3/b11-10+
InChIKeyMDWDJOLWSWLIHT-ZHACJKMWSA-N
XLogP1.38
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-imino-
CID 119098027
Pyrimidine, 1-ethyl-1,2-dihydro-2-methylimino-
CID 142258453
Pyrimidine, 1,2-dihydro-2-imino-1-propyl-
CID 163661769
Pyrimidine, 1-allyl-1,2-dihydro-2-imino-
CID 129348178
1-Butyl-2(1H)-pyrimidinimine
CID 165359023
Pyrimidine, 1-butyl-1,2-dihydro-2-methylimino-
CID 171384475
Pyrimidine, 1-allyl-1,2-dihydro-2-propylimino-
CID 171384509
Pyrimidine, 2-butylimino-1,2-dihydro-1-methyl-
CID 171384684
Pyrimido[1,2-a]pyrimidine
CID 17990712
6,7-dihydro-4H-pyrimido[1,2-a]pyrimidine
CID 17959310

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-propylpyrimidin-2-imine?
The IUPAC name of N-prop-2-enyl-1-propylpyrimidin-2-imine (CID 171384034) is N-prop-2-enyl-1-propylpyrimidin-2-imine.
What is the SMILES notation for N-prop-2-enyl-1-propylpyrimidin-2-imine?
The canonical SMILES for N-prop-2-enyl-1-propylpyrimidin-2-imine is C=CC/N=c1\ncccn1CCC.
What is the InChIKey of N-prop-2-enyl-1-propylpyrimidin-2-imine?
The InChIKey is MDWDJOLWSWLIHT-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-6-11-10-12-7-5-9-13(10)8-4-2/h3,5,7,9H,1,4,6,8H2,2H3/b11-10+.
What are the key properties of N-prop-2-enyl-1-propylpyrimidin-2-imine?
N-prop-2-enyl-1-propylpyrimidin-2-imine has a molecular weight of 177.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-propylpyrimidin-2-imine is sourced from PubChem (CID 171384034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).