5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine

C13H20BrN3O — CID 104611761

IUPAC5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OC)CCCC2)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-3-8-15-11-10(14)9-16-12(17-11)13(18-2)6-4-5-7-13/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyBYBACDCNQYEVIO-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.48
Rot. Bonds5

About 5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine

5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine (PubChem CID 104611761) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
PubChem CID104611761
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OC)CCCC2)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-3-8-15-11-10(14)9-16-12(17-11)13(18-2)6-4-5-7-13/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyBYBACDCNQYEVIO-UHFFFAOYSA-N
XLogP3.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
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
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611744
2-(1-methoxycyclopentyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 104611784
5-bromo-2-(1-methoxycyclohexyl)pyrimidine-4-carboxylic acid
CID 106512057
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine
CID 66302677
5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine
CID 116777102
5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 66304100
5-iodo-2-(1-methoxycycloheptyl)-N-methylpyrimidin-4-amine
CID 116777114
1-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80828340

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine (CID 104611761) is 5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C2(OC)CCCC2)ncc1Br.
What is the InChIKey of 5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine?
The InChIKey is BYBACDCNQYEVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-8-15-11-10(14)9-16-12(17-11)13(18-2)6-4-5-7-13/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine?
5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 3.48, 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-methoxycyclopentyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 104611761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).