5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine

C10H14BrN3O — CID 71977922

IUPAC5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
SMILESCN(CC1CCOC1)c1ncc(Br)cn1
InChIInChI=1S/C10H14BrN3O/c1-14(6-8-2-3-15-7-8)10-12-4-9(11)5-13-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeySWHJQENRXRIWCW-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.71
Rot. Bonds3

About 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine

5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine (PubChem CID 71977922) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
PubChem CID71977922
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
SMILESCN(CC1CCOC1)c1ncc(Br)cn1
InChIInChI=1S/C10H14BrN3O/c1-14(6-8-2-3-15-7-8)10-12-4-9(11)5-13-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeySWHJQENRXRIWCW-UHFFFAOYSA-N
XLogP1.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 5-bromo-2-methoxy-
CID 139657
5-Bromo-2-ethoxypyrimidine
CID 16427141
5-Bromo-2-(oxan-4-yl)pyrimidine
CID 76848543
5-Bromo-2-(tert-butoxy)pyrimidine
CID 14242657
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 71995855
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 71995875
5-bromo-N-[3-(oxolan-3-ylmethoxy)propyl]pyrimidin-2-amine
CID 72003509
5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine
CID 97841134
(2S)-4-[(5-bromopyrimidin-2-yl)-methylamino]butan-2-ol
CID 97575936
N-ethyl-5-[[methyl-[[(3R)-oxolan-3-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 129623168
5-Bromo-2-butoxy-4-fluoropyrimidine
CID 118005221
5-bromo-2-(4-fluorotetrahydro-2H-pyran-4-yl)pyrimidine
CID 118141781

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine (CID 71977922) is 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine is CN(CC1CCOC1)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is SWHJQENRXRIWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-14(6-8-2-3-15-7-8)10-12-4-9(11)5-13-10/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine?
5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 272.15 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 71977922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).