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

C12H17N5O3S — CID 61280840

IUPAC6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NCc2cnc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N5O3S/c1-7-14-5-8(21-7)6-15-9-10(13)17(3-4-20-2)12(19)16-11(9)18/h5,15H,3-4,6,13H2,1-2H3,(H,16,18,19)
InChIKeyWUNLMDMPLGQELO-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.14
Rot. Bonds6

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

6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione (PubChem CID 61280840) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione
PubChem CID61280840
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NCc2cnc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N5O3S/c1-7-14-5-8(21-7)6-15-9-10(13)17(3-4-20-2)12(19)16-11(9)18/h5,15H,3-4,6,13H2,1-2H3,(H,16,18,19)
InChIKeyWUNLMDMPLGQELO-UHFFFAOYSA-N
XLogP0.14
TPSA115.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione (CID 61280840) is 6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione is COCCn1c(N)c(NCc2cnc(C)s2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione?
The InChIKey is WUNLMDMPLGQELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-7-14-5-8(21-7)6-15-9-10(13)17(3-4-20-2)12(19)16-11(9)18/h5,15H,3-4,6,13H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione has a molecular weight of 311.37 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 61280840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).