5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione

C12H20N4O3 — CID 64535130

IUPAC5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCC(C)N1CCOC(Cn2cc(N)c(=O)[nH]c2=O)C1
InChIInChI=1S/C12H20N4O3/c1-8(2)15-3-4-19-9(5-15)6-16-7-10(13)11(17)14-12(16)18/h7-9H,3-6,13H2,1-2H3,(H,14,17,18)
InChIKeyQXKDEOPJTOIVRS-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.77
Rot. Bonds3

About 5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione

5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 64535130) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID64535130
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCC(C)N1CCOC(Cn2cc(N)c(=O)[nH]c2=O)C1
InChIInChI=1S/C12H20N4O3/c1-8(2)15-3-4-19-9(5-15)6-16-7-10(13)11(17)14-12(16)18/h7-9H,3-6,13H2,1-2H3,(H,14,17,18)
InChIKeyQXKDEOPJTOIVRS-UHFFFAOYSA-N
XLogP-0.77
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64533566
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583244
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
CID 66407258
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-3-amine
CID 64535535
6-chloro-5-methoxy-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114585446
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
CID 102604816
5-bromo-2-[(4-propan-2-ylmorpholin-2-yl)methylsulfinyl]aniline
CID 81185212
6-[(4-propan-2-ylmorpholin-2-yl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195689
3-bromo-5-[(4-propan-2-ylmorpholin-2-yl)methoxy]aniline
CID 103588191
(4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate
CID 64532957
2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 64532962

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione (CID 64535130) is 5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione is CC(C)N1CCOC(Cn2cc(N)c(=O)[nH]c2=O)C1.
What is the InChIKey of 5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is QXKDEOPJTOIVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)15-3-4-19-9(5-15)6-16-7-10(13)11(17)14-12(16)18/h7-9H,3-6,13H2,1-2H3,(H,14,17,18).
What are the key properties of 5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione?
5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 64535130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).