5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine

C16H26BrN3O — CID 116776525

IUPAC5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OC)CCCCCC2)nc(C)c1Br
InChIInChI=1S/C16H26BrN3O/c1-4-11-18-14-13(17)12(2)19-15(20-14)16(21-3)9-7-5-6-8-10-16/h4-11H2,1-3H3,(H,18,19,20)
InChIKeyZWUHXEGAXXEQHN-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.57
Rot. Bonds5

About 5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 116776525) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID116776525
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OC)CCCCCC2)nc(C)c1Br
InChIInChI=1S/C16H26BrN3O/c1-4-11-18-14-13(17)12(2)19-15(20-14)16(21-3)9-7-5-6-8-10-16/h4-11H2,1-3H3,(H,18,19,20)
InChIKeyZWUHXEGAXXEQHN-UHFFFAOYSA-N
XLogP4.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 116776378
5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611761
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611744
N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776421
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 104611901
2-(1-methoxycyclopentyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 104611784
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
N-[2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-1-amine
CID 116731669
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine (CID 116776525) is 5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2(OC)CCCCCC2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is ZWUHXEGAXXEQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-4-11-18-14-13(17)12(2)19-15(20-14)16(21-3)9-7-5-6-8-10-16/h4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 356.31 g/mol, XLogP of 4.57, 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-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116776525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).