5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine

C13H22BrN3O — CID 116729820

IUPAC5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OC)C(C)(C)C)ncc1Br
InChIInChI=1S/C13H22BrN3O/c1-6-7-15-11-9(14)8-16-12(17-11)10(18-5)13(2,3)4/h8,10H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyJESUZIGSTOZYAC-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.79
Rot. Bonds5

About 5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine

5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 116729820) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
PubChem CID116729820
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OC)C(C)(C)C)ncc1Br
InChIInChI=1S/C13H22BrN3O/c1-6-7-15-11-9(14)8-16-12(17-11)10(18-5)13(2,3)4/h8,10H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyJESUZIGSTOZYAC-UHFFFAOYSA-N
XLogP3.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729574
2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728436
5-iodo-2-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 66304100
5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147667
5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611761
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine
CID 116729783
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine (CID 116729820) is 5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(OC)C(C)(C)C)ncc1Br.
What is the InChIKey of 5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is JESUZIGSTOZYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-6-7-15-11-9(14)8-16-12(17-11)10(18-5)13(2,3)4/h8,10H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine?
5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 316.24 g/mol, XLogP of 3.79, 5 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-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116729820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).