5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine

C15H25BrN4O — CID 79096555

IUPAC5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(C2CN(C)CCO2)nc(CCC)c1Br
InChIInChI=1S/C15H25BrN4O/c1-4-6-11-13(16)15(17-7-5-2)19-14(18-11)12-10-20(3)8-9-21-12/h12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyYTAIASGQHGBFQM-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.02
Rot. Bonds6

About 5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine

5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 79096555) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine
PubChem CID79096555
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(C2CN(C)CCO2)nc(CCC)c1Br
InChIInChI=1S/C15H25BrN4O/c1-4-6-11-13(16)15(17-7-5-2)19-14(18-11)12-10-20(3)8-9-21-12/h12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyYTAIASGQHGBFQM-UHFFFAOYSA-N
XLogP3.02
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-5-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79089266
5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79096567
5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306953
5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79089179
N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088256
N-[[4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 79088552
4-methyl-2-(4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)morpholine
CID 114742578
5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
CID 79961331
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine
CID 66305829
5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657646
5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
CID 66301225
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657802

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine (CID 79096555) is 5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(C2CN(C)CCO2)nc(CCC)c1Br.
What is the InChIKey of 5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is YTAIASGQHGBFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-4-6-11-13(16)15(17-7-5-2)19-14(18-11)12-10-20(3)8-9-21-12/h12H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine?
5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 357.30 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 79096555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).