N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide

C15H20N6O2S — CID 91765312

IUPACN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide
SMILESCNc1cc(C2CC(NC(=O)c3sc(OC)nc3C)C2)nc(N)n1
InChIInChI=1S/C15H20N6O2S/c1-7-12(24-15(18-7)23-3)13(22)19-9-4-8(5-9)10-6-11(17-2)21-14(16)20-10/h6,8-9H,4-5H2,1-3H3,(H,19,22)(H3,16,17,20,21)
InChIKeyVIGZJKIUGDIRGP-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.55
Rot. Bonds5

About N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide

N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 91765312) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID91765312
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide
SMILESCNc1cc(C2CC(NC(=O)c3sc(OC)nc3C)C2)nc(N)n1
InChIInChI=1S/C15H20N6O2S/c1-7-12(24-15(18-7)23-3)13(22)19-9-4-8(5-9)10-6-11(17-2)21-14(16)20-10/h6,8-9H,4-5H2,1-3H3,(H,19,22)(H3,16,17,20,21)
InChIKeyVIGZJKIUGDIRGP-UHFFFAOYSA-N
XLogP1.55
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide (CID 91765312) is N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide is CNc1cc(C2CC(NC(=O)c3sc(OC)nc3C)C2)nc(N)n1.
What is the InChIKey of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VIGZJKIUGDIRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-7-12(24-15(18-7)23-3)13(22)19-9-4-8(5-9)10-6-11(17-2)21-14(16)20-10/h6,8-9H,4-5H2,1-3H3,(H,19,22)(H3,16,17,20,21).
What are the key properties of N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]cyclobutyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91765312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).