4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136902394

IUPAC4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCC(O)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-17-9-10(13-6-14-11(9)16)12-5-7-2-3-8(15)4-7/h6-8,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyDCKGLVHULGMVNG-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.35
Rot. Bonds4

About 4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136902394) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136902394
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCC(O)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-17-9-10(13-6-14-11(9)16)12-5-7-2-3-8(15)4-7/h6-8,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyDCKGLVHULGMVNG-UHFFFAOYSA-N
XLogP0.35
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136746820
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136758190
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136823136
4-[(5-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136901127
4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136902406
4-[(3-hydroxycyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136902407
4-(4-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136902413

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136902394) is 4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2CCC(O)C2)nc[nH]c1=O.
What is the InChIKey of 4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is DCKGLVHULGMVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-9-10(13-6-14-11(9)16)12-5-7-2-3-8(15)4-7/h6-8,15H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136902394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).