4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one

C11H19N3O2 — CID 136704101

IUPAC4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-2-3-9(4-5-15)7-12-10-6-11(16)14-8-13-10/h6,8-9,15H,2-5,7H2,1H3,(H2,12,13,14,16)
InChIKeyMBSXTCDMEAWZRD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds7

About 4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one

4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one (PubChem CID 136704101) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
PubChem CID136704101
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-2-3-9(4-5-15)7-12-10-6-11(16)14-8-13-10/h6,8-9,15H,2-5,7H2,1H3,(H2,12,13,14,16)
InChIKeyMBSXTCDMEAWZRD-UHFFFAOYSA-N
XLogP0.98
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 142588347
4-[[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]amino]-1H-pyrimidin-6-one;methane
CID 161768016
4-[[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]amino]-1H-pyrimidin-6-one
CID 161768017
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704099
5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704102
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746827
4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746839

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one (CID 136704101) is 4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one is CCCC(CCO)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
The InChIKey is MBSXTCDMEAWZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-3-9(4-5-15)7-12-10-6-11(16)14-8-13-10/h6,8-9,15H,2-5,7H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136704101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).