6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine

C17H24N4OS — CID 91772552

IUPAC6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)Cc2sccc2C)n1
InChIInChI=1S/C17H24N4OS/c1-11-4-5-23-15(11)9-21(2)17-8-14(12-6-13(18)7-12)19-16(20-17)10-22-3/h4-5,8,12-13H,6-7,9-10,18H2,1-3H3
InChIKeyPEPJZUNYGNJJAG-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.83
Rot. Bonds6

About 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine (PubChem CID 91772552) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
PubChem CID91772552
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N(C)Cc2sccc2C)n1
InChIInChI=1S/C17H24N4OS/c1-11-4-5-23-15(11)9-21(2)17-8-14(12-6-13(18)7-12)19-16(20-17)10-22-3/h4-5,8,12-13H,6-7,9-10,18H2,1-3H3
InChIKeyPEPJZUNYGNJJAG-UHFFFAOYSA-N
XLogP2.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine (CID 91772552) is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine is COCc1nc(C2CC(N)C2)cc(N(C)Cc2sccc2C)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is PEPJZUNYGNJJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11-4-5-23-15(11)9-21(2)17-8-14(12-6-13(18)7-12)19-16(20-17)10-22-3/h4-5,8,12-13H,6-7,9-10,18H2,1-3H3.
What are the key properties of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 332.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91772552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).