2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane

C12H18ClN3S — CID 158141980

IUPAC2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
SMILESC.CC1(Nc2nc(Cl)nc3c2SCC3)CCC1
InChIInChI=1S/C11H14ClN3S.CH4/c1-11(4-2-5-11)15-9-8-7(3-6-16-8)13-10(12)14-9;/h2-6H2,1H3,(H,13,14,15);1H4
InChIKeyFUAYTBRMPHKHQH-UHFFFAOYSA-N
MW271.82 g/mol
LogP3.77
Rot. Bonds2

About 2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane

2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane (PubChem CID 158141980) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is 2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane.

Molecular Properties

Compound Name2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
PubChem CID158141980
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
SMILESC.CC1(Nc2nc(Cl)nc3c2SCC3)CCC1
InChIInChI=1S/C11H14ClN3S.CH4/c1-11(4-2-5-11)15-9-8-7(3-6-16-8)13-10(12)14-9;/h2-6H2,1H3,(H,13,14,15);1H4
InChIKeyFUAYTBRMPHKHQH-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?
The IUPAC name of 2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane (CID 158141980) is 2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane.
What is the SMILES notation for 2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?
The canonical SMILES for 2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane is C.CC1(Nc2nc(Cl)nc3c2SCC3)CCC1.
What is the InChIKey of 2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?
The InChIKey is FUAYTBRMPHKHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S.CH4/c1-11(4-2-5-11)15-9-8-7(3-6-16-8)13-10(12)14-9;/h2-6H2,1H3,(H,13,14,15);1H4.
What are the key properties of 2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane?
2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane has a molecular weight of 271.82 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylcyclobutyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 158141980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).