6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione

C11H19N5O2 — CID 54933352

IUPAC6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione
SMILESCN1CCC(CNc2c(N)n(C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H19N5O2/c1-15-4-3-7(6-15)5-13-8-9(12)16(2)11(18)14-10(8)17/h7,13H,3-6,12H2,1-2H3,(H,14,17,18)
InChIKeyFWKXYYPPCNBKOV-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.98
Rot. Bonds3

About 6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione

6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione (PubChem CID 54933352) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione
PubChem CID54933352
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione
SMILESCN1CCC(CNc2c(N)n(C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H19N5O2/c1-15-4-3-7(6-15)5-13-8-9(12)16(2)11(18)14-10(8)17/h7,13H,3-6,12H2,1-2H3,(H,14,17,18)
InChIKeyFWKXYYPPCNBKOV-UHFFFAOYSA-N
XLogP-0.98
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-(cyclohexylmethylamino)-1-methylpyrimidine-2,4-dione
CID 60649220
6-amino-1-methyl-5-(oxan-3-ylmethylamino)pyrimidine-2,4-dione
CID 54906132
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-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione
CID 61019816
6-amino-1-ethyl-5-(thian-4-ylmethylamino)pyrimidine-2,4-dione
CID 115625293
6-amino-5-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrimidine-2,4-dione
CID 113234750
6-amino-1-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrimidine-2,4-dione
CID 64667200
6-amino-1-methyl-5-(7-methyloctylamino)pyrimidine-2,4-dione
CID 107816326
6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
CID 102699143
3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
CID 113224834
6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione
CID 115579965

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione (CID 54933352) is 6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione is CN1CCC(CNc2c(N)n(C)c(=O)[nH]c2=O)C1.
What is the InChIKey of 6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione?
The InChIKey is FWKXYYPPCNBKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-15-4-3-7(6-15)5-13-8-9(12)16(2)11(18)14-10(8)17/h7,13H,3-6,12H2,1-2H3,(H,14,17,18).
What are the key properties of 6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione has a molecular weight of 253.31 g/mol, XLogP of -0.98, 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-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 54933352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).