cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

C19H25N5O2 — CID 110218588

IUPACcyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc(N(C)C)nc2C2CCCCN2C(=O)C2CC2)on1
InChIInChI=1S/C19H25N5O2/c1-12-10-16(26-22-12)14-11-20-19(23(2)3)21-17(14)15-6-4-5-9-24(15)18(25)13-7-8-13/h10-11,13,15H,4-9H2,1-3H3
InChIKeyQHIAQFRXHWHHLK-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.97
Rot. Bonds4

About cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 110218588) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID110218588
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Namecyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cnc(N(C)C)nc2C2CCCCN2C(=O)C2CC2)on1
InChIInChI=1S/C19H25N5O2/c1-12-10-16(26-22-12)14-11-20-19(23(2)3)21-17(14)15-6-4-5-9-24(15)18(25)13-7-8-13/h10-11,13,15H,4-9H2,1-3H3
InChIKeyQHIAQFRXHWHHLK-UHFFFAOYSA-N
XLogP2.97
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 110218588) is cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1cc(-c2cnc(N(C)C)nc2C2CCCCN2C(=O)C2CC2)on1.
What is the InChIKey of cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is QHIAQFRXHWHHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-10-16(26-22-12)14-11-20-19(23(2)3)21-17(14)15-6-4-5-9-24(15)18(25)13-7-8-13/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110218588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).