N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine

C14H22ClN3S — CID 150771786

IUPACN-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)c1nc(Cl)nc2c1SCC2
InChIInChI=1S/C14H22ClN3S/c1-8(2)18(9(3)4)10(5)12-13-11(6-7-19-13)16-14(15)17-12/h8-10H,6-7H2,1-5H3
InChIKeyKAAAYOAFJUPSNC-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.96
Rot. Bonds4

About N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine

N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 150771786) has the molecular formula C14H22ClN3S and a molecular weight of 299.87 g/mol. Its IUPAC name is N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID150771786
Molecular FormulaC14H22ClN3S
Molecular Weight299.87 g/mol
Exact Mass299.12
IUPAC NameN-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)c1nc(Cl)nc2c1SCC2
InChIInChI=1S/C14H22ClN3S/c1-8(2)18(9(3)4)10(5)12-13-11(6-7-19-13)16-14(15)17-12/h8-10H,6-7H2,1-5H3
InChIKeyKAAAYOAFJUPSNC-UHFFFAOYSA-N
XLogP3.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine (CID 150771786) is N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)C(C)c1nc(Cl)nc2c1SCC2.
What is the InChIKey of N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is KAAAYOAFJUPSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3S/c1-8(2)18(9(3)4)10(5)12-13-11(6-7-19-13)16-14(15)17-12/h8-10H,6-7H2,1-5H3.
What are the key properties of N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine?
N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 299.87 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 150771786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).