3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one

C10H17N3O2 — CID 107506247

IUPAC3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one
SMILESCCNC(COC)Cn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-3-12-9(7-15-2)6-13-8-11-5-4-10(13)14/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyCSNLEHXQSVYPOS-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.13
Rot. Bonds6

About 3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one

3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one (PubChem CID 107506247) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one
PubChem CID107506247
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one
SMILESCCNC(COC)Cn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-3-12-9(7-15-2)6-13-8-11-5-4-10(13)14/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyCSNLEHXQSVYPOS-UHFFFAOYSA-N
XLogP-0.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8Z)-3-butan-2-yl-5,6-dihydro-4H-1,3,6-triazonin-7-one
CID 58616691
3-(1,4-Oxazepan-2-yl)pyrimidin-4-one
CID 67283089
3-butan-2-yl-5,6-dihydro-4H-1,3,6-triazonin-7-one
CID 76839460
5-(1,3-Dimethoxypropan-2-ylamino)-3-methylpyrimidin-4-one
CID 140038027
3-[2-(3-Propan-2-yloxypropylamino)ethyl]pyrimidin-4-one
CID 55236851
3-[2-(4-Ethoxybutylamino)ethyl]pyrimidin-4-one
CID 55237045
3-[2-(1-Methoxypropan-2-ylamino)ethyl]-6-methylpyrimidin-4-one
CID 62563257
3-[2-(2-Ethoxyethylamino)ethyl]-6-methylpyrimidin-4-one
CID 62564460
3-[2-(2-Methoxyethylamino)ethyl]-6-methylpyrimidin-4-one
CID 62564623
3-[2-(Methylamino)propyl]pyrimidin-4-one
CID 63767943
3-[2-(Propylamino)butyl]pyrimidin-4-one
CID 63767948
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one
CID 63768320

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one (CID 107506247) is 3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one is CCNC(COC)Cn1cnccc1=O.
What is the InChIKey of 3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one?
The InChIKey is CSNLEHXQSVYPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-12-9(7-15-2)6-13-8-11-5-4-10(13)14/h4-5,8-9,12H,3,6-7H2,1-2H3.
What are the key properties of 3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one?
3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-3-methoxypropyl]pyrimidin-4-one is sourced from PubChem (CID 107506247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).