6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine

C10H16BrN3O2 — CID 106668961

IUPAC6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine
SMILESCOC(C)(C)CCOc1nc(N)cc(Br)n1
InChIInChI=1S/C10H16BrN3O2/c1-10(2,15-3)4-5-16-9-13-7(11)6-8(12)14-9/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyDTCFDQBAHLBKQI-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.02
Rot. Bonds5

About 6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine

6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine (PubChem CID 106668961) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine
PubChem CID106668961
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine
SMILESCOC(C)(C)CCOc1nc(N)cc(Br)n1
InChIInChI=1S/C10H16BrN3O2/c1-10(2,15-3)4-5-16-9-13-7(11)6-8(12)14-9/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyDTCFDQBAHLBKQI-UHFFFAOYSA-N
XLogP2.02
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664894
4-(3-methoxy-3-methylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106669229
N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine
CID 106669087
4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine
CID 106667203
4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline
CID 103032538
4-(3-methoxy-3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106668991
4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 106669255
[3-bromo-5-(3-methoxy-3-methylbutoxy)phenyl]methanamine
CID 106664811
6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 116797954
3-(3-methoxy-3-methylbutoxy)-5-methylaniline
CID 106664947
2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine
CID 106665577
5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine
CID 106666429

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine (CID 106668961) is 6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine is COC(C)(C)CCOc1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine?
The InChIKey is DTCFDQBAHLBKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-10(2,15-3)4-5-16-9-13-7(11)6-8(12)14-9/h6H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine?
6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine has a molecular weight of 290.16 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine is sourced from PubChem (CID 106668961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).