4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine

C16H18N4 — CID 112932919

IUPAC4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(NC2CC2)cc(-c2ccccc2)n1
InChIInChI=1S/C16H18N4/c1-2-10-17-16-19-14(12-6-4-3-5-7-12)11-15(20-16)18-13-8-9-13/h2-7,11,13H,1,8-10H2,(H2,17,18,19,20)
InChIKeyKZJKWPRPXSAKQS-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.32
Rot. Bonds6

About 4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine

4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112932919) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112932919
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(NC2CC2)cc(-c2ccccc2)n1
InChIInChI=1S/C16H18N4/c1-2-10-17-16-19-14(12-6-4-3-5-7-12)11-15(20-16)18-13-8-9-13/h2-7,11,13H,1,8-10H2,(H2,17,18,19,20)
InChIKeyKZJKWPRPXSAKQS-UHFFFAOYSA-N
XLogP3.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921
4-N-cyclopropyl-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112932935
2-N-(1,1-dioxothiolan-3-yl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933282
4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112932942
2-N-[(4-fluorophenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933264
2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112932996
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112932953
2-N-[(4-methoxyphenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933268
4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937172
4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933451
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933524
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933276

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 112932919) is 4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1nc(NC2CC2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is KZJKWPRPXSAKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-10-17-16-19-14(12-6-4-3-5-7-12)11-15(20-16)18-13-8-9-13/h2-7,11,13H,1,8-10H2,(H2,17,18,19,20).
What are the key properties of 4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).