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

C11H18N4O — CID 136672022

IUPAC4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
SMILESNCC(Nc1cc(=O)[nH]cn1)C1CCCC1
InChIInChI=1S/C11H18N4O/c12-6-9(8-3-1-2-4-8)15-10-5-11(16)14-7-13-10/h5,7-9H,1-4,6,12H2,(H2,13,14,15,16)
InChIKeyCRTGOWULWDIFKD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.70
Rot. Bonds4

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

4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136672022) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
PubChem CID136672022
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
SMILESNCC(Nc1cc(=O)[nH]cn1)C1CCCC1
InChIInChI=1S/C11H18N4O/c12-6-9(8-3-1-2-4-8)15-10-5-11(16)14-7-13-10/h5,7-9H,1-4,6,12H2,(H2,13,14,15,16)
InChIKeyCRTGOWULWDIFKD-UHFFFAOYSA-N
XLogP0.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one
CID 159090684
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
CID 160966104
3-[2-Cyclopentyl-2-(propylamino)ethyl]-6-methylpyrimidin-4-one
CID 104747405
3-[2-Cyclopentyl-2-(methylamino)ethyl]pyrimidin-4-one
CID 104747714
3-(2-Amino-2-cyclopentylethyl)pyrimidin-4-one
CID 104747715
3-[2-Cyclopentyl-2-(propylamino)ethyl]pyrimidin-4-one
CID 104747718
3-[2-Cyclopentyl-2-(ethylamino)ethyl]pyrimidin-4-one
CID 104747720
3-[2-Cyclopentyl-2-(methylamino)ethyl]-6-methylpyrimidin-4-one
CID 113448413
3-[2-Cyclopentyl-2-(ethylamino)ethyl]-6-methylpyrimidin-4-one
CID 113448414
4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136672017
4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672018
4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136672019

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one (CID 136672022) is 4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one is NCC(Nc1cc(=O)[nH]cn1)C1CCCC1.
What is the InChIKey of 4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is CRTGOWULWDIFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-6-9(8-3-1-2-4-8)15-10-5-11(16)14-7-13-10/h5,7-9H,1-4,6,12H2,(H2,13,14,15,16).
What are the key properties of 4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one?
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.70, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136672022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).