4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 136852164

IUPAC4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C13H21N3O2/c1-2-14-9-10-7-13(17)16-12(15-10)8-11-5-3-4-6-18-11/h7,11,14H,2-6,8-9H2,1H3,(H,15,16,17)
InChIKeyDZYDODINHAWMCS-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.99
Rot. Bonds5

About 4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136852164) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136852164
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C13H21N3O2/c1-2-14-9-10-7-13(17)16-12(15-10)8-11-5-3-4-6-18-11/h7,11,14H,2-6,8-9H2,1H3,(H,15,16,17)
InChIKeyDZYDODINHAWMCS-UHFFFAOYSA-N
XLogP0.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one
CID 63793320
2-[[2-(Oxan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 105997903
4-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978361
4-(methylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135978387
2-(oxolan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095233
4-[(2-methoxyethylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095392
4-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095445
4-[(cyclopropylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095465
4-[(2-methylpropylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095477
4-[(tert-butylamino)methyl]-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136095561
2-(oxolan-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095714
4-(methylaminomethyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136274256

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136852164) is 4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is CCNCc1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is DZYDODINHAWMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-14-9-10-7-13(17)16-12(15-10)8-11-5-3-4-6-18-11/h7,11,14H,2-6,8-9H2,1H3,(H,15,16,17).
What are the key properties of 4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).