4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one

C12H18N4O2 — CID 137008187

IUPAC4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOCC2CNC2CC2)nc[nH]1
InChIInChI=1S/C12H18N4O2/c17-12-5-11(14-8-15-12)16-3-4-18-7-10(16)6-13-9-1-2-9/h5,8-10,13H,1-4,6-7H2,(H,14,15,17)
InChIKeyRXJBHQCRTKFRJS-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.27
Rot. Bonds4

About 4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one

4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 137008187) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID137008187
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOCC2CNC2CC2)nc[nH]1
InChIInChI=1S/C12H18N4O2/c17-12-5-11(14-8-15-12)16-3-4-18-7-10(16)6-13-9-1-2-9/h5,8-10,13H,1-4,6-7H2,(H,14,15,17)
InChIKeyRXJBHQCRTKFRJS-UHFFFAOYSA-N
XLogP-0.27
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137007881
4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978971
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 83104336
N-[[4-(5-bromopyrimidin-4-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 83106045
N-[(4-furo[3,2-c]pyridin-4-ylmorpholin-3-yl)methyl]cyclopropanamine
CID 106535615
4-[3-(aminomethyl)morpholin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137008164
N-methyl-1-[4-(6-methylpyrimidin-4-yl)morpholin-3-yl]methanamine
CID 83105368
N-methyl-1-[4-(4-methyl-2-pyridinyl)morpholin-3-yl]methanamine
CID 83104606
N-[[4-(4-propan-2-yloxypyrimidin-2-yl)morpholin-3-yl]methyl]cyclopropanamine
CID 115975665
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]ethanamine
CID 83105610
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62591990
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104201

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one (CID 137008187) is 4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one is O=c1cc(N2CCOCC2CNC2CC2)nc[nH]1.
What is the InChIKey of 4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is RXJBHQCRTKFRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-12-5-11(14-8-15-12)16-3-4-18-7-10(16)6-13-9-1-2-9/h5,8-10,13H,1-4,6-7H2,(H,14,15,17).
What are the key properties of 4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one?
4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(cyclopropylamino)methyl]morpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137008187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).