4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide

C11H16N4O3S — CID 138035664

IUPAC4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c(N)n1
InChIInChI=1S/C11H16N4O3S/c1-6-9(3-4-19(6,17)18)15-11(16)8-5-13-7(2)14-10(8)12/h5-6,9H,3-4H2,1-2H3,(H,15,16)(H2,12,13,14)/t6-,9-/m0/s1
InChIKeyLZECAWWBYZKHNQ-RCOVLWMOSA-N
MW284.34 g/mol
LogP-0.33
Rot. Bonds2

About 4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide

4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide (PubChem CID 138035664) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide
PubChem CID138035664
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c(N)n1
InChIInChI=1S/C11H16N4O3S/c1-6-9(3-4-19(6,17)18)15-11(16)8-5-13-7(2)14-10(8)12/h5-6,9H,3-4H2,1-2H3,(H,15,16)(H2,12,13,14)/t6-,9-/m0/s1
InChIKeyLZECAWWBYZKHNQ-RCOVLWMOSA-N
XLogP-0.33
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide (CID 138035664) is 4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c(N)n1.
What is the InChIKey of 4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is LZECAWWBYZKHNQ-RCOVLWMOSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-6-9(3-4-19(6,17)18)15-11(16)8-5-13-7(2)14-10(8)12/h5-6,9H,3-4H2,1-2H3,(H,15,16)(H2,12,13,14)/t6-,9-/m0/s1.
What are the key properties of 4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide?
4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 284.34 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 138035664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).