4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one

C10H17N3O4 — CID 137011792

IUPAC4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(O)CCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O4/c1-16-5-7(14)3-4-11-9-8(17-2)10(15)13-6-12-9/h6-7,14H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyYXBNXNBTRNOSEV-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.41
Rot. Bonds7

About 4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137011792) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID137011792
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(O)CCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H17N3O4/c1-16-5-7(14)3-4-11-9-8(17-2)10(15)13-6-12-9/h6-7,14H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyYXBNXNBTRNOSEV-UHFFFAOYSA-N
XLogP-0.41
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136675564
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136675574
2-methoxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136675616
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
5-methoxy-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764974
4-(3,4-dihydroxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136766526
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783250
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
4-(2,3-dimethoxypropylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136852190
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864249

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 137011792) is 4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one is COCC(O)CCNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is YXBNXNBTRNOSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-16-5-7(14)3-4-11-9-8(17-2)10(15)13-6-12-9/h6-7,14H,3-5H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 243.26 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137011792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).