N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine

C18H19N7O — CID 170382755

IUPACN-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2cccc(-c3ccon3)n2)n1)C1C=CN(C)N1
InChIInChI=1S/C18H19N7O/c1-12(13-7-10-25(2)23-13)20-18-19-9-6-16(22-18)14-4-3-5-15(21-14)17-8-11-26-24-17/h3-13,23H,1-2H3,(H,19,20,22)
InChIKeyXZFODSMDGOMQLR-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.33
Rot. Bonds5

About N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine

N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 170382755) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID170382755
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2cccc(-c3ccon3)n2)n1)C1C=CN(C)N1
InChIInChI=1S/C18H19N7O/c1-12(13-7-10-25(2)23-13)20-18-19-9-6-16(22-18)14-4-3-5-15(21-14)17-8-11-26-24-17/h3-13,23H,1-2H3,(H,19,20,22)
InChIKeyXZFODSMDGOMQLR-UHFFFAOYSA-N
XLogP2.33
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 170573377
3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
CID 170573453
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
CID 170383544
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
4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine
CID 170573556
CID 170573475
CID 170573475
N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444030
(3R)-3-[3-[6-[2-[[(2R)-1-(azetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326172
(3S)-1-methyl-3-[3-[6-[2-[[(1S)-1-pyridin-4-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170379580
(3S)-1-methyl-3-[3-[6-[2-[[(1R)-1-pyridin-4-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170379578

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine (CID 170382755) is N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine is CC(Nc1nccc(-c2cccc(-c3ccon3)n2)n1)C1C=CN(C)N1.
What is the InChIKey of N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is XZFODSMDGOMQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-12(13-7-10-25(2)23-13)20-18-19-9-6-16(22-18)14-4-3-5-15(21-14)17-8-11-26-24-17/h3-13,23H,1-2H3,(H,19,20,22).
What are the key properties of N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine?
N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 349.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 170382755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).