4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one

C9H14N4O2 — CID 136706914

IUPAC4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2COCCN2)nc[nH]1
InChIInChI=1S/C9H14N4O2/c14-9-3-8(12-6-13-9)11-4-7-5-15-2-1-10-7/h3,6-7,10H,1-2,4-5H2,(H2,11,12,13,14)
InChIKeyKGCPUARWVSQGOI-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.83
Rot. Bonds3

About 4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one

4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136706914) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136706914
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2COCCN2)nc[nH]1
InChIInChI=1S/C9H14N4O2/c14-9-3-8(12-6-13-9)11-4-7-5-15-2-1-10-7/h3,6-7,10H,1-2,4-5H2,(H2,11,12,13,14)
InChIKeyKGCPUARWVSQGOI-UHFFFAOYSA-N
XLogP-0.83
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Morpholinopyrimidin-4-ol
CID 136128233
4-[2-(fluoromethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 157738230
4-(morpholin-4-ylmethyl)-1H-pyrimidin-6-one
CID 136627479
4-(3,3-dideuteriomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137138532
4-morpholin-4-yl-2-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 156749632
2-(1-Aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
CID 84700722
5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 135568309
5-amino-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 135575724
5-amino-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135786490
6-amino-2-[(2-morpholin-4-ylethyl)amino]pyrimidin-4(3H)-one
CID 135932004
2-(1-aminoethyl)-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 136303151
2-(aminomethyl)-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 136326850

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136706914) is 4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is O=c1cc(NCC2COCCN2)nc[nH]1.
What is the InChIKey of 4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is KGCPUARWVSQGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-9-3-8(12-6-13-9)11-4-7-5-15-2-1-10-7/h3,6-7,10H,1-2,4-5H2,(H2,11,12,13,14).
What are the key properties of 4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).