[2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone

C17H19N3O2 — CID 138380952

IUPAC[2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone
SMILESO=C(c1cnc(NCc2ccccc2)nc1)C1CCOCC1
InChIInChI=1S/C17H19N3O2/c21-16(14-6-8-22-9-7-14)15-11-19-17(20-12-15)18-10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,18,19,20)
InChIKeyHWFCJSFBNATXJV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.70
Rot. Bonds5

About [2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone

[2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone (PubChem CID 138380952) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone
PubChem CID138380952
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone
SMILESO=C(c1cnc(NCc2ccccc2)nc1)C1CCOCC1
InChIInChI=1S/C17H19N3O2/c21-16(14-6-8-22-9-7-14)15-11-19-17(20-12-15)18-10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,18,19,20)
InChIKeyHWFCJSFBNATXJV-UHFFFAOYSA-N
XLogP2.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
2-(benzylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-5-carboxamide
CID 109255397
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109253999
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
N-benzyl-5-(oxan-4-yl)-1H-1,2,4-triazol-3-amine
CID 71544095
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone?
The IUPAC name of [2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone (CID 138380952) is [2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone is O=C(c1cnc(NCc2ccccc2)nc1)C1CCOCC1.
What is the InChIKey of [2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone?
The InChIKey is HWFCJSFBNATXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16(14-6-8-22-9-7-14)15-11-19-17(20-12-15)18-10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,18,19,20).
What are the key properties of [2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone?
[2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)pyrimidin-5-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 138380952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).