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

C13H20BrN3O — CID 66307742

IUPAC5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CC2CCCO2)nc(NC)c1Br
InChIInChI=1S/C13H20BrN3O/c1-3-5-10-12(14)13(15-2)17-11(16-10)8-9-6-4-7-18-9/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyFMSMZVVSCBAZSL-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.95
Rot. Bonds5

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

5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine (PubChem CID 66307742) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
PubChem CID66307742
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CC2CCCO2)nc(NC)c1Br
InChIInChI=1S/C13H20BrN3O/c1-3-5-10-12(14)13(15-2)17-11(16-10)8-9-6-4-7-18-9/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyFMSMZVVSCBAZSL-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-6-(methoxymethyl)-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66303027
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 66294321
N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66301056
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 113391678
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 66304470
6-tert-butyl-N-ethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66300985
5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 66304985
[5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62251234
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine (CID 66307742) is 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine is CCCc1nc(CC2CCCO2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine?
The InChIKey is FMSMZVVSCBAZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-5-10-12(14)13(15-2)17-11(16-10)8-9-6-4-7-18-9/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine?
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 2.95, 5 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-propylpyrimidin-4-amine is sourced from PubChem (CID 66307742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).