N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine

C14H18N4OS — CID 72871253

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCCc2nc3c(s2)CCC3)ncn1
InChIInChI=1S/C14H18N4OS/c1-19-8-10-7-13(17-9-16-10)15-6-5-14-18-11-3-2-4-12(11)20-14/h7,9H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyGBGGPAJFRZQROC-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 72871253) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID72871253
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCCc2nc3c(s2)CCC3)ncn1
InChIInChI=1S/C14H18N4OS/c1-19-8-10-7-13(17-9-16-10)15-6-5-14-18-11-3-2-4-12(11)20-14/h7,9H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyGBGGPAJFRZQROC-UHFFFAOYSA-N
XLogP2.22
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine (CID 72871253) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NCCc2nc3c(s2)CCC3)ncn1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is GBGGPAJFRZQROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-19-8-10-7-13(17-9-16-10)15-6-5-14-18-11-3-2-4-12(11)20-14/h7,9H,2-6,8H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 290.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 72871253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).