6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine

C17H25N5O2S — CID 91786997

IUPAC6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine
SMILESCOCc1nc(NCc2sc(COC)nc2C)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H25N5O2S/c1-10-14(25-17(20-10)9-24-3)7-19-15-6-13(11-4-12(18)5-11)21-16(22-15)8-23-2/h6,11-12H,4-5,7-9,18H2,1-3H3,(H,19,21,22)
InChIKeyGFMQKSLMNSTBPL-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.35
Rot. Bonds8

About 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine (PubChem CID 91786997) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine
PubChem CID91786997
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine
SMILESCOCc1nc(NCc2sc(COC)nc2C)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H25N5O2S/c1-10-14(25-17(20-10)9-24-3)7-19-15-6-13(11-4-12(18)5-11)21-16(22-15)8-23-2/h6,11-12H,4-5,7-9,18H2,1-3H3,(H,19,21,22)
InChIKeyGFMQKSLMNSTBPL-UHFFFAOYSA-N
XLogP2.35
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.35
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-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine (CID 91786997) is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine is COCc1nc(NCc2sc(COC)nc2C)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine?
The InChIKey is GFMQKSLMNSTBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-10-14(25-17(20-10)9-24-3)7-19-15-6-13(11-4-12(18)5-11)21-16(22-15)8-23-2/h6,11-12H,4-5,7-9,18H2,1-3H3,(H,19,21,22).
What are the key properties of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine has a molecular weight of 363.49 g/mol, XLogP of 2.35, 8 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-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 91786997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).