5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one

C12H20N4O2 — CID 113385102

IUPAC5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCOC(c2ncc(CN)c(=O)[nH]2)C1
InChIInChI=1S/C12H20N4O2/c1-2-3-16-4-5-18-10(8-16)11-14-7-9(6-13)12(17)15-11/h7,10H,2-6,8,13H2,1H3,(H,14,15,17)
InChIKeyZFMLMSHSEGRXTD-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.01
Rot. Bonds4

About 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one

5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 113385102) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID113385102
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCOC(c2ncc(CN)c(=O)[nH]2)C1
InChIInChI=1S/C12H20N4O2/c1-2-3-16-4-5-18-10(8-16)11-14-7-9(6-13)12(17)15-11/h7,10H,2-6,8,13H2,1H3,(H,14,15,17)
InChIKeyZFMLMSHSEGRXTD-UHFFFAOYSA-N
XLogP0.01
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-isopropyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56874336
2-methyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56869394
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549658
2-propan-2-yl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554072
2-propan-2-yl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95554073
2-morpholin-2-yl-1H-pyrimidin-6-one
CID 129982008
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077278
4-hydroxy-5-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077480
5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79078075
4-hydroxy-5-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79657438

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 113385102) is 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one is CCCN1CCOC(c2ncc(CN)c(=O)[nH]2)C1.
What is the InChIKey of 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ZFMLMSHSEGRXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-16-4-5-18-10(8-16)11-14-7-9(6-13)12(17)15-11/h7,10H,2-6,8,13H2,1H3,(H,14,15,17).
What are the key properties of 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 113385102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).