4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine

C12H13N5 — CID 130201916

IUPAC4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine
SMILESC=CCNc1cc(-c2ccccn2)nc(N)n1
InChIInChI=1S/C12H13N5/c1-2-6-15-11-8-10(16-12(13)17-11)9-5-3-4-7-14-9/h2-5,7-8H,1,6H2,(H3,13,15,16,17)
InChIKeyMTJOEQGGQWDFLN-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.72
Rot. Bonds4

About 4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine

4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine (PubChem CID 130201916) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine
PubChem CID130201916
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine
SMILESC=CCNc1cc(-c2ccccn2)nc(N)n1
InChIInChI=1S/C12H13N5/c1-2-6-15-11-8-10(16-12(13)17-11)9-5-3-4-7-14-9/h2-5,7-8H,1,6H2,(H3,13,15,16,17)
InChIKeyMTJOEQGGQWDFLN-UHFFFAOYSA-N
XLogP1.72
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
CID 4533537
N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4050048
N-prop-2-enylpyrido[2,3-b]pyrazin-6-amine
CID 78988348
6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80777060
3-N-prop-2-enylpyridine-2,3-diamine
CID 104540292
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
4-chloro-2,6-dipyridin-2-ylpyridine;platinum
CID 87267165
4-N-but-3-enyl-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 118559559
5-pyridin-2-yl-1,2,4-triazin-3-amine
CID 43134555
4-N-(3-aminopropyl)-6-phenylpyrimidine-2,4-diamine
CID 130209355
N-prop-2-enylcinnolin-3-amine
CID 69404307
4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563804

Frequently Asked Questions

What is the IUPAC name of 4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine (CID 130201916) is 4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine is C=CCNc1cc(-c2ccccn2)nc(N)n1.
What is the InChIKey of 4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
The InChIKey is MTJOEQGGQWDFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-6-15-11-8-10(16-12(13)17-11)9-5-3-4-7-14-9/h2-5,7-8H,1,6H2,(H3,13,15,16,17).
What are the key properties of 4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine?
4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine has a molecular weight of 227.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-prop-2-enyl-6-pyridin-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 130201916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).