1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine

C12H14N4 — CID 63120833

IUPAC1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine
SMILESNC(CNc1ncccn1)c1ccccc1
InChIInChI=1S/C12H14N4/c13-11(10-5-2-1-3-6-10)9-16-12-14-7-4-8-15-12/h1-8,11H,9,13H2,(H,14,15,16)
InChIKeyCYWBYDQQEQFQIF-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.59
Rot. Bonds4

About 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine

1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine (PubChem CID 63120833) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine
PubChem CID63120833
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine
SMILESNC(CNc1ncccn1)c1ccccc1
InChIInChI=1S/C12H14N4/c13-11(10-5-2-1-3-6-10)9-16-12-14-7-4-8-15-12/h1-8,11H,9,13H2,(H,14,15,16)
InChIKeyCYWBYDQQEQFQIF-UHFFFAOYSA-N
XLogP1.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 80506681
N'-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355310
1-phenyl-2-pyrimidin-2-ylethanamine
CID 63196621
N'-(1-ethylimidazol-2-yl)-1-phenylethane-1,2-diamine
CID 55256491
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
2-[(2-amino-2-phenylethyl)amino]pyridine-4-carboxamide
CID 63120769
3-methyl-5-phenyl-6-(pyrimidin-2-ylamino)hexan-2-ol
CID 150666961
N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
CID 63120842
N'-(5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 63120270
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966
N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
CID 55346930
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The IUPAC name of 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine (CID 63120833) is 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine is NC(CNc1ncccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The InChIKey is CYWBYDQQEQFQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-11(10-5-2-1-3-6-10)9-16-12-14-7-4-8-15-12/h1-8,11H,9,13H2,(H,14,15,16).
What are the key properties of 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine?
1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine is sourced from PubChem (CID 63120833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).