ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

C19H22N4 — CID 143251058

IUPACethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCC.Cc1ccc(N(Cc2ccccn2)c2ncccn2)cc1
InChIInChI=1S/C17H16N4.C2H6/c1-14-6-8-16(9-7-14)21(17-19-11-4-12-20-17)13-15-5-2-3-10-18-15;1-2/h2-12H,13H2,1H3;1-2H3
InChIKeyQCMCXPLWWFSGTC-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.54
Rot. Bonds4

About ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 143251058) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Nameethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID143251058
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Nameethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCC.Cc1ccc(N(Cc2ccccn2)c2ncccn2)cc1
InChIInChI=1S/C17H16N4.C2H6/c1-14-6-8-16(9-7-14)21(17-19-11-4-12-20-17)13-15-5-2-3-10-18-15;1-2/h2-12H,13H2,1H3;1-2H3
InChIKeyQCMCXPLWWFSGTC-UHFFFAOYSA-N
XLogP4.54
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 141149663
2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 144884135
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 134442602
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
bis(manganese(3+));bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);bis(tetraphenylboranuide)
CID 139036841
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
(NE)-N-[1-[[(2E)-2-hydroxyiminopropyl]-(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 59821034
CID 88902013
CID 88902013

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 143251058) is ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is CC.Cc1ccc(N(Cc2ccccn2)c2ncccn2)cc1.
What is the InChIKey of ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is QCMCXPLWWFSGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4.C2H6/c1-14-6-8-16(9-7-14)21(17-19-11-4-12-20-17)13-15-5-2-3-10-18-15;1-2/h2-12H,13H2,1H3;1-2H3.
What are the key properties of ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 306.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 143251058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).