6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine

C17H22N6OS — CID 91763820

IUPAC6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine
SMILESCOCc1nc(NCc2cn3cc(C)sc3n2)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H22N6OS/c1-10-7-23-8-13(20-17(23)25-10)6-19-15-5-14(11-3-12(18)4-11)21-16(22-15)9-24-2/h5,7-8,11-12H,3-4,6,9,18H2,1-2H3,(H,19,21,22)
InChIKeyYLNFCSRUXGPWCW-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.46
Rot. Bonds6

About 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine (PubChem CID 91763820) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine
PubChem CID91763820
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine
SMILESCOCc1nc(NCc2cn3cc(C)sc3n2)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H22N6OS/c1-10-7-23-8-13(20-17(23)25-10)6-19-15-5-14(11-3-12(18)4-11)21-16(22-15)9-24-2/h5,7-8,11-12H,3-4,6,9,18H2,1-2H3,(H,19,21,22)
InChIKeyYLNFCSRUXGPWCW-UHFFFAOYSA-N
XLogP2.46
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine (CID 91763820) is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine is COCc1nc(NCc2cn3cc(C)sc3n2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine?
The InChIKey is YLNFCSRUXGPWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-10-7-23-8-13(20-17(23)25-10)6-19-15-5-14(11-3-12(18)4-11)21-16(22-15)9-24-2/h5,7-8,11-12H,3-4,6,9,18H2,1-2H3,(H,19,21,22).
What are the key properties of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine has a molecular weight of 358.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91763820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).