5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine

C14H22BrN3O — CID 80681256

IUPAC5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2(C)CCCCO2)nc(NC)c1Br
InChIInChI=1S/C14H22BrN3O/c1-4-7-10-11(15)12(16-3)18-13(17-10)14(2)8-5-6-9-19-14/h4-9H2,1-3H3,(H,16,17,18)
InChIKeyUCVCAWMMOSMMHV-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.65
Rot. Bonds4

About 5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine

5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine (PubChem CID 80681256) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
PubChem CID80681256
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2(C)CCCCO2)nc(NC)c1Br
InChIInChI=1S/C14H22BrN3O/c1-4-7-10-11(15)12(16-3)18-13(17-10)14(2)8-5-6-9-19-14/h4-9H2,1-3H3,(H,16,17,18)
InChIKeyUCVCAWMMOSMMHV-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
CID 80681180
5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 80683736
5-iodo-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80681024
5-fluoro-N,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680622
N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80681636
2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine
CID 66307142
6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680945
N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 80685788
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine
CID 114245206
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 66307742

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine (CID 80681256) is 5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine is CCCc1nc(C2(C)CCCCO2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine?
The InChIKey is UCVCAWMMOSMMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-4-7-10-11(15)12(16-3)18-13(17-10)14(2)8-5-6-9-19-14/h4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine?
5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine has a molecular weight of 328.25 g/mol, XLogP of 3.65, 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-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 80681256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).