4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine

C19H18N8O — CID 170383544

IUPAC4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESc1cc(-c2ccon2)nc(-c2ccnc(Nc3cnn(C4CCNC4)c3)n2)c1
InChIInChI=1S/C19H18N8O/c1-2-15(24-16(3-1)18-6-9-28-26-18)17-5-8-21-19(25-17)23-13-10-22-27(12-13)14-4-7-20-11-14/h1-3,5-6,8-10,12,14,20H,4,7,11H2,(H,21,23,25)
InChIKeyWLAQKNALYDKJRC-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.67
Rot. Bonds5

About 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine

4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 170383544) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID170383544
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESc1cc(-c2ccon2)nc(-c2ccnc(Nc3cnn(C4CCNC4)c3)n2)c1
InChIInChI=1S/C19H18N8O/c1-2-15(24-16(3-1)18-6-9-28-26-18)17-5-8-21-19(25-17)23-13-10-22-27(12-13)14-4-7-20-11-14/h1-3,5-6,8-10,12,14,20H,4,7,11H2,(H,21,23,25)
InChIKeyWLAQKNALYDKJRC-UHFFFAOYSA-N
XLogP2.67
TPSA106.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine with MolForge

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Related Compounds

N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
CID 150455915
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
(3R)-3-[3-[6-[2-[[1-(azetidin-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326891
CID 170573475
CID 170573475
N-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 150067603
N-ethyl-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 170573643
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-propylpyrimidin-2-amine
CID 170573663
4-chloro-1-pyrrolidin-3-ylpyrazole
CID 62329636
3-hydroxy-1-methyl-3-[3-[6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-5-(trifluoromethyl)pyrrolidin-2-one
CID 177263075
5-chloro-4-N-(2-dimethylphosphinothioylphenyl)-2-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 147777660
2-[3-methoxy-4-[[4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propane-1,3-diol
CID 170382577
2-tert-butyl-N-[[2-methyl-4-[2-[[1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide;1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[2-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]propan-1-one
CID 167627775

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine (CID 170383544) is 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine is c1cc(-c2ccon2)nc(-c2ccnc(Nc3cnn(C4CCNC4)c3)n2)c1.
What is the InChIKey of 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is WLAQKNALYDKJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-2-15(24-16(3-1)18-6-9-28-26-18)17-5-8-21-19(25-17)23-13-10-22-27(12-13)14-4-7-20-11-14/h1-3,5-6,8-10,12,14,20H,4,7,11H2,(H,21,23,25).
What are the key properties of 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine?
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 374.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 170383544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).