5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

C16H28BrN3O — CID 116730006

IUPAC5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OC)C(C)C)nc(CC(C)C)c1Br
InChIInChI=1S/C16H28BrN3O/c1-7-8-18-15-13(17)12(9-10(2)3)19-16(20-15)14(21-6)11(4)5/h10-11,14H,7-9H2,1-6H3,(H,18,19,20)
InChIKeyFMLZCHOHOVCYSI-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.60
Rot. Bonds8

About 5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 116730006) has the molecular formula C16H28BrN3O and a molecular weight of 358.32 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
PubChem CID116730006
Molecular FormulaC16H28BrN3O
Molecular Weight358.32 g/mol
Exact Mass357.14
IUPAC Name5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OC)C(C)C)nc(CC(C)C)c1Br
InChIInChI=1S/C16H28BrN3O/c1-7-8-18-15-13(17)12(9-10(2)3)19-16(20-15)14(21-6)11(4)5/h10-11,14H,7-9H2,1-6H3,(H,18,19,20)
InChIKeyFMLZCHOHOVCYSI-UHFFFAOYSA-N
XLogP4.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116503066
5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730005
5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729574
5-bromo-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)-N-methylpyrimidin-4-amine
CID 116729716
N-ethyl-5-iodo-2-(1-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 116729449
5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381241
2-(1-methoxy-2-methylpropyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728563
5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
CID 116633228
5-bromo-6-tert-butyl-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503025
5-bromo-2-(2-methoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 113391676
5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116776521
5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633286

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (CID 116730006) is 5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(OC)C(C)C)nc(CC(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is FMLZCHOHOVCYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrN3O/c1-7-8-18-15-13(17)12(9-10(2)3)19-16(20-15)14(21-6)11(4)5/h10-11,14H,7-9H2,1-6H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 358.32 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116730006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).