6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine

C15H13N5 — CID 117085780

IUPAC6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
SMILESc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1
InChIInChI=1S/C15H13N5/c1-2-6-12(7-3-1)19-14-10-15(18-11-17-14)20-13-8-4-5-9-16-13/h1-11H,(H2,16,17,18,19,20)
InChIKeyNMJFEGIQNBHBCP-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.36
Rot. Bonds4

About 6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine

6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine (PubChem CID 117085780) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
PubChem CID117085780
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
SMILESc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1
InChIInChI=1S/C15H13N5/c1-2-6-12(7-3-1)19-14-10-15(18-11-17-14)20-13-8-4-5-9-16-13/h1-11H,(H2,16,17,18,19,20)
InChIKeyNMJFEGIQNBHBCP-UHFFFAOYSA-N
XLogP3.36
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
6-N-(3-ethylsulfonylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 159704122
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122315829
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146951
2-chloro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315780
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316019
1-(3,4-difluorophenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122315905
2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264794
2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316044

Frequently Asked Questions

What is the IUPAC name of 6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine (CID 117085780) is 6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine is c1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1.
What is the InChIKey of 6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The InChIKey is NMJFEGIQNBHBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-2-6-12(7-3-1)19-14-10-15(18-11-17-14)20-13-8-4-5-9-16-13/h1-11H,(H2,16,17,18,19,20).
What are the key properties of 6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine has a molecular weight of 263.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 117085780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).