5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine

C15H24BrN3O — CID 103987890

IUPAC5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC2CCOC2)nc(CC(C)C)c1Br
InChIInChI=1S/C15H24BrN3O/c1-4-17-15-14(16)12(7-10(2)3)18-13(19-15)8-11-5-6-20-9-11/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyGNMLVRFJXJZNBC-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.45
Rot. Bonds6

About 5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine

5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 103987890) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID103987890
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC2CCOC2)nc(CC(C)C)c1Br
InChIInChI=1S/C15H24BrN3O/c1-4-17-15-14(16)12(7-10(2)3)18-13(19-15)8-11-5-6-20-9-11/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyGNMLVRFJXJZNBC-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 103987843
5-bromo-4-chloro-2-(oxolan-3-ylmethyl)-6-propylpyrimidine
CID 103986047
5-bromo-2-[2-(dimethylamino)ethyl]-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 115347087
N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987762
[6-ethyl-5-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 103987918
5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 103987858
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66302752
5-bromo-6-tert-butyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987845
6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987795
5-bromo-4-tert-butyl-6-chloro-2-(oxolan-3-ylmethyl)pyrimidine
CID 103986049
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162
5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300310

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 103987890) is 5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine is CCNc1nc(CC2CCOC2)nc(CC(C)C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is GNMLVRFJXJZNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-4-17-15-14(16)12(7-10(2)3)18-13(19-15)8-11-5-6-20-9-11/h10-11H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 342.28 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 103987890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).