N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

C16H14N4 — CID 141149663

IUPACN-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESc1ccc(N(Cc2ccccn2)c2ncccn2)cc1
InChIInChI=1S/C16H14N4/c1-2-8-15(9-3-1)20(16-18-11-6-12-19-16)13-14-7-4-5-10-17-14/h1-12H,13H2
InChIKeyMZCVRXOUINKMTA-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.21
Rot. Bonds4

About N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 141149663) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID141149663
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC NameN-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESc1ccc(N(Cc2ccccn2)c2ncccn2)cc1
InChIInChI=1S/C16H14N4/c1-2-8-15(9-3-1)20(16-18-11-6-12-19-16)13-14-7-4-5-10-17-14/h1-12H,13H2
InChIKeyMZCVRXOUINKMTA-UHFFFAOYSA-N
XLogP3.21
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 143251058
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copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
CID 88902013
CID 88902013
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 22115004
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708
bis(manganese(3+));bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetraphenylboranuide)
CID 139036841
N-phenyl-N-(pyridin-2-ylmethyl)-4-(thiiran-2-ylmethylsulfonyl)aniline
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1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
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CID 101191424

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 141149663) is N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is c1ccc(N(Cc2ccccn2)c2ncccn2)cc1.
What is the InChIKey of N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is MZCVRXOUINKMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-8-15(9-3-1)20(16-18-11-6-12-19-16)13-14-7-4-5-10-17-14/h1-12H,13H2.
What are the key properties of N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 141149663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).