2-N-(4-phenylphenyl)pyrimidine-2,4-diamine

C16H14N4 — CID 71531843

IUPAC2-N-(4-phenylphenyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H14N4/c17-15-10-11-18-16(20-15)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H3,17,18,19,20)
InChIKeyYKVMRTLTHPOXBB-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.47
Rot. Bonds3

About 2-N-(4-phenylphenyl)pyrimidine-2,4-diamine

2-N-(4-phenylphenyl)pyrimidine-2,4-diamine (PubChem CID 71531843) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N-(4-phenylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-phenylphenyl)pyrimidine-2,4-diamine
PubChem CID71531843
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-N-(4-phenylphenyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H14N4/c17-15-10-11-18-16(20-15)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H3,17,18,19,20)
InChIKeyYKVMRTLTHPOXBB-UHFFFAOYSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
CID 59235722
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine
CID 142347682
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732
3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877
2-N-(3-ethyl-4-methylphenyl)pyrimidine-2,4-diamine
CID 114250637
2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine
CID 116797163
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrimidine-2,4-diamine
CID 116796215
2-N-[4-bromo-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 116796985
4-[4-(ethylamino)phenyl]-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 143521008

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-phenylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-phenylphenyl)pyrimidine-2,4-diamine (CID 71531843) is 2-N-(4-phenylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-phenylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-phenylphenyl)pyrimidine-2,4-diamine is Nc1ccnc(Nc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-N-(4-phenylphenyl)pyrimidine-2,4-diamine?
The InChIKey is YKVMRTLTHPOXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-15-10-11-18-16(20-15)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H3,17,18,19,20).
What are the key properties of 2-N-(4-phenylphenyl)pyrimidine-2,4-diamine?
2-N-(4-phenylphenyl)pyrimidine-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-phenylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71531843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).