5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one

C10H15ClN4O2 — CID 136976268

IUPAC5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCOC(CNc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H15ClN4O2/c1-15-2-3-17-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyKBUFSOBVBRVMLQ-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.17
Rot. Bonds3

About 5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976268) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976268
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCOC(CNc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H15ClN4O2/c1-15-2-3-17-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyKBUFSOBVBRVMLQ-UHFFFAOYSA-N
XLogP0.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(2,6-dimethylmorpholin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 146171910
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-hydroxy-1H-pyrimidin-6-one
CID 151028371
5-chloro-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635388
5,6-Dichloro-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583031
5,6-Dichloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583032
5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706921
5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749181
5-chloro-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783258
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783261
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 136783265
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783267
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783269

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136976268) is 5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one is CN1CCOC(CNc2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is KBUFSOBVBRVMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-15-2-3-17-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 258.71 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).