6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione

C11H18N4O3 — CID 54906132

IUPAC6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCC2CCCOC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-15-9(12)8(10(16)14-11(15)17)13-5-7-3-2-4-18-6-7/h7,13H,2-6,12H2,1H3,(H,14,16,17)
InChIKeyXVOWAZVKDCMXNG-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.51
Rot. Bonds3

About 6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione

6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 54906132) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione
PubChem CID54906132
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCC2CCCOC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-15-9(12)8(10(16)14-11(15)17)13-5-7-3-2-4-18-6-7/h7,13H,2-6,12H2,1H3,(H,14,16,17)
InChIKeyXVOWAZVKDCMXNG-UHFFFAOYSA-N
XLogP-0.51
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione
CID 61019816
6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione
CID 115579965
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
6-amino-1-methyl-5-[(2-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione
CID 62059575
6-amino-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1-methylpyrimidine-2,4-dione
CID 65118752
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 4133025
6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione
CID 115625293
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide
CID 60667095
6-amino-1-methyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103736695
3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
CID 113224834
6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
CID 102699143
2,6-dichloro-N-(oxan-3-ylmethyl)aniline
CID 65469527

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione (CID 54906132) is 6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione is Cn1c(N)c(NCC2CCCOC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is XVOWAZVKDCMXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-15-9(12)8(10(16)14-11(15)17)13-5-7-3-2-4-18-6-7/h7,13H,2-6,12H2,1H3,(H,14,16,17).
What are the key properties of 6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54906132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).