N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine

C10H14N4 — CID 135190134

IUPACN-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine
SMILESC=CN(N=C)c1ncc(CCC)cn1
InChIInChI=1S/C10H14N4/c1-4-6-9-7-12-10(13-8-9)14(5-2)11-3/h5,7-8H,2-4,6H2,1H3
InChIKeyGTHQNGPWMQEVAC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.99
Rot. Bonds5

About N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine

N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine (PubChem CID 135190134) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine
PubChem CID135190134
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine
SMILESC=CN(N=C)c1ncc(CCC)cn1
InChIInChI=1S/C10H14N4/c1-4-6-9-7-12-10(13-8-9)14(5-2)11-3/h5,7-8H,2-4,6H2,1H3
InChIKeyGTHQNGPWMQEVAC-UHFFFAOYSA-N
XLogP1.99
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine?
The IUPAC name of N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine (CID 135190134) is N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine.
What is the SMILES notation for N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine?
The canonical SMILES for N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine is C=CN(N=C)c1ncc(CCC)cn1.
What is the InChIKey of N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine?
The InChIKey is GTHQNGPWMQEVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-4-6-9-7-12-10(13-8-9)14(5-2)11-3/h5,7-8H,2-4,6H2,1H3.
What are the key properties of N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine?
N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine has a molecular weight of 190.25 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-(methylideneamino)-5-propylpyrimidin-2-amine is sourced from PubChem (CID 135190134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).