2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine

C12H14N4 — CID 174524490

IUPAC2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine
SMILESNC(N)(Cc1ccccc1)c1cncnc1
InChIInChI=1S/C12H14N4/c13-12(14,11-7-15-9-16-8-11)6-10-4-2-1-3-5-10/h1-5,7-9H,6,13-14H2
InChIKeyIEWKEHOOGSHTHL-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.79
Rot. Bonds3

About 2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine

2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine (PubChem CID 174524490) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine.

Molecular Properties

Compound Name2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine
PubChem CID174524490
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine
SMILESNC(N)(Cc1ccccc1)c1cncnc1
InChIInChI=1S/C12H14N4/c13-12(14,11-7-15-9-16-8-11)6-10-4-2-1-3-5-10/h1-5,7-9H,6,13-14H2
InChIKeyIEWKEHOOGSHTHL-UHFFFAOYSA-N
XLogP0.79
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,2-triphenylethanamine;hydrobromide
CID 175347021
2,2-diphenyl-2-pyrimidin-5-ylacetonitrile
CID 18994305
1,1,1,2-tetrafluoro-3-phenylpropan-2-amine
CID 174465813
3-methyl-1,4-diphenylbutane-2,2-diamine
CID 22904156
4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline
CID 23349378
2-phenyl-2-pyrimidin-5-ylpropanamide
CID 129285738
1-(2-chlorophenyl)-1-pyrimidin-5-ylethanamine
CID 62490874
3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
CID 43829549
1-N,1-N-diethyl-2,3-diphenylpropane-1,2-diamine
CID 43829798
2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
CID 173157536
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
1,2-diphenyl-1-pyridin-4-ylethanol;hydrochloride
CID 21149832

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine?
The IUPAC name of 2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine (CID 174524490) is 2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine.
What is the SMILES notation for 2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine?
The canonical SMILES for 2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine is NC(N)(Cc1ccccc1)c1cncnc1.
What is the InChIKey of 2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine?
The InChIKey is IEWKEHOOGSHTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-12(14,11-7-15-9-16-8-11)6-10-4-2-1-3-5-10/h1-5,7-9H,6,13-14H2.
What are the key properties of 2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine?
2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine has a molecular weight of 214.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine is sourced from PubChem (CID 174524490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).