4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine

C18H14N6O — CID 72844380

IUPAC4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
SMILESc1ccc(-c2cc(CNc3nccc(-c4ccccn4)n3)on2)nc1
InChIInChI=1S/C18H14N6O/c1-3-8-19-14(5-1)16-7-10-21-18(23-16)22-12-13-11-17(24-25-13)15-6-2-4-9-20-15/h1-11H,12H2,(H,21,22,23)
InChIKeyTUBYBOCSDLQXTI-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.20
Rot. Bonds5

About 4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine

4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine (PubChem CID 72844380) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
PubChem CID72844380
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
SMILESc1ccc(-c2cc(CNc3nccc(-c4ccccn4)n3)on2)nc1
InChIInChI=1S/C18H14N6O/c1-3-8-19-14(5-1)16-7-10-21-18(23-16)22-12-13-11-17(24-25-13)15-6-2-4-9-20-15/h1-11H,12H2,(H,21,22,23)
InChIKeyTUBYBOCSDLQXTI-UHFFFAOYSA-N
XLogP3.20
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 72930406
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74234143
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74248691
4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-methyl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 58274479
pyrrolo[3,2-b]azepine
CID 66934182
N-(2,4-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347083
2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 91764642
(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl N-phenylcarbamate
CID 71591427
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444515
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 20622527
4-pyridin-4-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
CID 72933357

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine (CID 72844380) is 4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine is c1ccc(-c2cc(CNc3nccc(-c4ccccn4)n3)on2)nc1.
What is the InChIKey of 4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
The InChIKey is TUBYBOCSDLQXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-3-8-19-14(5-1)16-7-10-21-18(23-16)22-12-13-11-17(24-25-13)15-6-2-4-9-20-15/h1-11H,12H2,(H,21,22,23).
What are the key properties of 4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine has a molecular weight of 330.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 72844380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).