2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C17H22N4 — CID 80981560

IUPAC2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1cccc(Nc2nc(C3CC3)nc(NC)c2C)c1
InChIInChI=1S/C17H22N4/c1-4-12-6-5-7-14(10-12)19-16-11(2)15(18-3)20-17(21-16)13-8-9-13/h5-7,10,13H,4,8-9H2,1-3H3,(H2,18,19,20,21)
InChIKeyNAXSJNSDXVGRFB-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.01
Rot. Bonds5

About 2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80981560) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80981560
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1cccc(Nc2nc(C3CC3)nc(NC)c2C)c1
InChIInChI=1S/C17H22N4/c1-4-12-6-5-7-14(10-12)19-16-11(2)15(18-3)20-17(21-16)13-8-9-13/h5-7,10,13H,4,8-9H2,1-3H3,(H2,18,19,20,21)
InChIKeyNAXSJNSDXVGRFB-UHFFFAOYSA-N
XLogP4.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80981560) is 2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1cccc(Nc2nc(C3CC3)nc(NC)c2C)c1.
What is the InChIKey of 2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is NAXSJNSDXVGRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-12-6-5-7-14(10-12)19-16-11(2)15(18-3)20-17(21-16)13-8-9-13/h5-7,10,13H,4,8-9H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).