5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one

C10H16N4O2 — CID 136979721

IUPAC5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCC1(O)CN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H16N4O2/c1-2-3-10(16)4-14(5-10)8-7(11)9(15)13-6-12-8/h6,16H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyVZNSUXRSJAOFDX-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.30
Rot. Bonds3

About 5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136979721) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136979721
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCC1(O)CN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H16N4O2/c1-2-3-10(16)4-14(5-10)8-7(11)9(15)13-6-12-8/h6,16H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyVZNSUXRSJAOFDX-UHFFFAOYSA-N
XLogP-0.30
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696645
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819388
5-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136961732
5-amino-4-[(2-hydroxy-2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 136976067
5-amino-4-[(2-ethyl-2-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 136976072
5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136976077
5-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136976235
5-amino-4-[(1-hydroxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136977410
5-amino-4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one
CID 136979702
5-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-1H-pyrimidin-6-one
CID 136979712
4-(3-hydroxy-3-propylazetidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136979719

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one (CID 136979721) is 5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one is CCCC1(O)CN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VZNSUXRSJAOFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-10(16)4-14(5-10)8-7(11)9(15)13-6-12-8/h6,16H,2-5,11H2,1H3,(H,12,13,15).
What are the key properties of 5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxy-3-propylazetidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136979721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).