4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one

C11H17BrN4O — CID 136672020

IUPAC4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESNCC(Nc1nc[nH]c(=O)c1Br)C1CCCC1
InChIInChI=1S/C11H17BrN4O/c12-9-10(14-6-15-11(9)17)16-8(5-13)7-3-1-2-4-7/h6-8H,1-5,13H2,(H2,14,15,16,17)
InChIKeyURSJJPXDLMMYNW-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.46
Rot. Bonds4

About 4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one

4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one (PubChem CID 136672020) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one
PubChem CID136672020
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one
SMILESNCC(Nc1nc[nH]c(=O)c1Br)C1CCCC1
InChIInChI=1S/C11H17BrN4O/c12-9-10(14-6-15-11(9)17)16-8(5-13)7-3-1-2-4-7/h6-8H,1-5,13H2,(H2,14,15,16,17)
InChIKeyURSJJPXDLMMYNW-UHFFFAOYSA-N
XLogP1.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
5-bromo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701816
5-bromo-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701824
5-bromo-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723586
5-bromo-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733817
5-bromo-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781020
4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136817755
5-bromo-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825671
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136847744
4-[(1-amino-4-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136848628
5-bromo-4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one
CID 136852187
5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867386

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one (CID 136672020) is 4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one is NCC(Nc1nc[nH]c(=O)c1Br)C1CCCC1.
What is the InChIKey of 4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is URSJJPXDLMMYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c12-9-10(14-6-15-11(9)17)16-8(5-13)7-3-1-2-4-7/h6-8H,1-5,13H2,(H2,14,15,16,17).
What are the key properties of 4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one?
4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 301.19 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136672020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).