ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine

C22H32N4 — CID 90795343

IUPACethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
SMILESCC.CC.CC.Cc1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C16H14N4.3C2H6/c1-12-4-2-6-14(10-12)19-16-18-9-7-15(20-16)13-5-3-8-17-11-13;3*1-2/h2-11H,1H3,(H,18,19,20);3*1-2H3
InChIKeyTXGUHELDJBMJOC-UHFFFAOYSA-N
MW352.53 g/mol
LogP6.67
Rot. Bonds3

About ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine

ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 90795343) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Nameethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID90795343
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Nameethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
SMILESCC.CC.CC.Cc1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C16H14N4.3C2H6/c1-12-4-2-6-14(10-12)19-16-18-9-7-15(20-16)13-5-3-8-17-11-13;3*1-2/h2-11H,1H3,(H,18,19,20);3*1-2H3
InChIKeyTXGUHELDJBMJOC-UHFFFAOYSA-N
XLogP6.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.53
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970812
sodium;4-(2-chloro-4-pyridinyl)-N-(3-methylphenyl)pyrimidin-2-amine;hydroxide
CID 23720657
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3-pyridinyl]hydroxylamine
CID 154584905
N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide
CID 73345816
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoyl azide
CID 175373568
4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 59468418
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
(E)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 71301684

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine (CID 90795343) is ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine is CC.CC.CC.Cc1cccc(Nc2nccc(-c3cccnc3)n2)c1.
What is the InChIKey of ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is TXGUHELDJBMJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4.3C2H6/c1-12-4-2-6-14(10-12)19-16-18-9-7-15(20-16)13-5-3-8-17-11-13;3*1-2/h2-11H,1H3,(H,18,19,20);3*1-2H3.
What are the key properties of ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine?
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 352.53 g/mol, XLogP of 6.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 90795343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).