5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine

C12H18BrN3O — CID 103987858

IUPAC5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(CC2CCOC2)nc(N)c1Br
InChIInChI=1S/C12H18BrN3O/c1-7(2)11-10(13)12(14)16-9(15-11)5-8-3-4-17-6-8/h7-8H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyMLKDNUJUNVVRJX-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.52
Rot. Bonds3

About 5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 103987858) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID103987858
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(CC2CCOC2)nc(N)c1Br
InChIInChI=1S/C12H18BrN3O/c1-7(2)11-10(13)12(14)16-9(15-11)5-8-3-4-17-6-8/h7-8H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyMLKDNUJUNVVRJX-UHFFFAOYSA-N
XLogP2.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-tert-butyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987845
6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 113362255
5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987890
methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
CID 116647653
[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361502
5-bromo-4-chloro-2-(oxolan-3-ylmethyl)-6-propylpyrimidine
CID 103986047
5-bromo-4-tert-butyl-6-chloro-2-(oxolan-3-ylmethyl)pyrimidine
CID 103986049
6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987764
(1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904297
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 103988030
3-(oxolan-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 103987943
2,4-dibromo-6-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103985859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (CID 103987858) is 5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(CC2CCOC2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is MLKDNUJUNVVRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-7(2)11-10(13)12(14)16-9(15-11)5-8-3-4-17-6-8/h7-8H,3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 300.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103987858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).