[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C18H23N5O2 — CID 126890461

IUPAC[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1cc(N(C2CC2)C2CCN(C(=O)c3coc(C)n3)CC2)ncn1
InChIInChI=1S/C18H23N5O2/c1-12-9-17(20-11-19-12)23(14-3-4-14)15-5-7-22(8-6-15)18(24)16-10-25-13(2)21-16/h9-11,14-15H,3-8H2,1-2H3
InChIKeyFRGCFNVWJBJVSV-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.36
Rot. Bonds4

About [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 126890461) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID126890461
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1cc(N(C2CC2)C2CCN(C(=O)c3coc(C)n3)CC2)ncn1
InChIInChI=1S/C18H23N5O2/c1-12-9-17(20-11-19-12)23(14-3-4-14)15-5-7-22(8-6-15)18(24)16-10-25-13(2)21-16/h9-11,14-15H,3-8H2,1-2H3
InChIKeyFRGCFNVWJBJVSV-UHFFFAOYSA-N
XLogP2.36
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 126890444
[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126891440
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 126890517
4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 126890430
[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110119168
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 126890824
(2-methyl-1,3-oxazol-4-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947235
6-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126891075
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126890734

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 126890461) is [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is Cc1cc(N(C2CC2)C2CCN(C(=O)c3coc(C)n3)CC2)ncn1.
What is the InChIKey of [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is FRGCFNVWJBJVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-9-17(20-11-19-12)23(14-3-4-14)15-5-7-22(8-6-15)18(24)16-10-25-13(2)21-16/h9-11,14-15H,3-8H2,1-2H3.
What are the key properties of [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 126890461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).