5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

C16H26BrN3O — CID 116730005

IUPAC5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OC)C2CC2)nc(CC(C)C)c1Br
InChIInChI=1S/C16H26BrN3O/c1-5-8-18-15-13(17)12(9-10(2)3)19-16(20-15)14(21-4)11-6-7-11/h10-11,14H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyONPYYDABOIUTRF-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.36
Rot. Bonds8

About 5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 116730005) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
PubChem CID116730005
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OC)C2CC2)nc(CC(C)C)c1Br
InChIInChI=1S/C16H26BrN3O/c1-5-8-18-15-13(17)12(9-10(2)3)19-16(20-15)14(21-4)11-6-7-11/h10-11,14H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyONPYYDABOIUTRF-UHFFFAOYSA-N
XLogP4.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730006
5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116503066
2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728949
5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729574
5-bromo-2-[cyclopropyl(methoxy)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 116729630
5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
CID 116633228
5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381241
4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodo-6-(2-methylpropyl)pyrimidine
CID 116746394
5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107925754
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922
5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299335
3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 116782306

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (CID 116730005) is 5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(OC)C2CC2)nc(CC(C)C)c1Br.
What is the InChIKey of 5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is ONPYYDABOIUTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-5-8-18-15-13(17)12(9-10(2)3)19-16(20-15)14(21-4)11-6-7-11/h10-11,14H,5-9H2,1-4H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 356.31 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116730005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).