2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C12H20N4O2 — CID 114206299

IUPAC2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)13-7-10-8-14-12(15-11(10)17)16-3-5-18-6-4-16/h8-9,13H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyDBHJPVFBQAVIJC-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.10
Rot. Bonds4

About 2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206299) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206299
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-9(2)13-7-10-8-14-12(15-11(10)17)16-3-5-18-6-4-16/h8-9,13H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyDBHJPVFBQAVIJC-UHFFFAOYSA-N
XLogP0.10
TPSA70.25 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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 114206299) is 2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is CC(C)NCc1cnc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is DBHJPVFBQAVIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)13-7-10-8-14-12(15-11(10)17)16-3-5-18-6-4-16/h8-9,13H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of 2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).