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

C13H19N5O2S — CID 61281033

IUPAC6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione
SMILESCc1ncc(CNc2c(N)n(CC(C)C)c(=O)[nH]c2=O)s1
InChIInChI=1S/C13H19N5O2S/c1-7(2)6-18-11(14)10(12(19)17-13(18)20)16-5-9-4-15-8(3)21-9/h4,7,16H,5-6,14H2,1-3H3,(H,17,19,20)
InChIKeyQYIDKHNFUHENKP-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.15
Rot. Bonds5

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

6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione (PubChem CID 61281033) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione
PubChem CID61281033
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione
SMILESCc1ncc(CNc2c(N)n(CC(C)C)c(=O)[nH]c2=O)s1
InChIInChI=1S/C13H19N5O2S/c1-7(2)6-18-11(14)10(12(19)17-13(18)20)16-5-9-4-15-8(3)21-9/h4,7,16H,5-6,14H2,1-3H3,(H,17,19,20)
InChIKeyQYIDKHNFUHENKP-UHFFFAOYSA-N
XLogP1.15
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione (CID 61281033) is 6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione is Cc1ncc(CNc2c(N)n(CC(C)C)c(=O)[nH]c2=O)s1.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione?
The InChIKey is QYIDKHNFUHENKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-7(2)6-18-11(14)10(12(19)17-13(18)20)16-5-9-4-15-8(3)21-9/h4,7,16H,5-6,14H2,1-3H3,(H,17,19,20).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione has a molecular weight of 309.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 61281033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).