5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine

C16H18BrN3O — CID 66294321

IUPAC5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
SMILESCNc1nc(CC2CCCO2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C16H18BrN3O/c1-18-16-14(17)15(11-6-3-2-4-7-11)19-13(20-16)10-12-8-5-9-21-12/h2-4,6-7,12H,5,8-10H2,1H3,(H,18,19,20)
InChIKeyIONZQZPNHPDHKC-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.67
Rot. Bonds4

About 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine

5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine (PubChem CID 66294321) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
PubChem CID66294321
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
SMILESCNc1nc(CC2CCCO2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C16H18BrN3O/c1-18-16-14(17)15(11-6-3-2-4-7-11)19-13(20-16)10-12-8-5-9-21-12/h2-4,6-7,12H,5,8-10H2,1H3,(H,18,19,20)
InChIKeyIONZQZPNHPDHKC-UHFFFAOYSA-N
XLogP3.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 66307742
5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine
CID 66294324
5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine
CID 66294532
5-bromo-N-methyl-2-(3-methylbutyl)-6-phenylpyrimidin-4-amine
CID 66294519
5-iodo-6-(methoxymethyl)-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66303027
2-(cyclopropylmethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
CID 104846775
[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81174268
2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 156821361
6-cyclopropyl-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63354065
5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
CID 62769279
N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66301056
6-tert-butyl-N-ethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66300985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine (CID 66294321) is 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine is CNc1nc(CC2CCCO2)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine?
The InChIKey is IONZQZPNHPDHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-18-16-14(17)15(11-6-3-2-4-7-11)19-13(20-16)10-12-8-5-9-21-12/h2-4,6-7,12H,5,8-10H2,1H3,(H,18,19,20).
What are the key properties of 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine?
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine has a molecular weight of 348.24 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66294321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).