N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C13H20N4S — CID 110918076

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1cc2c(s1)CCN(CCNC1=NCCCN1)C2
InChIInChI=1S/C13H20N4S/c1-4-14-13(15-5-1)16-6-8-17-7-2-12-11(10-17)3-9-18-12/h3,9H,1-2,4-8,10H2,(H2,14,15,16)
InChIKeySUYNJUKZRHXLMT-UHFFFAOYSA-N
MW264.40 g/mol
LogP1.05
Rot. Bonds3

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110918076) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110918076
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1cc2c(s1)CCN(CCNC1=NCCCN1)C2
InChIInChI=1S/C13H20N4S/c1-4-14-13(15-5-1)16-6-8-17-7-2-12-11(10-17)3-9-18-12/h3,9H,1-2,4-8,10H2,(H2,14,15,16)
InChIKeySUYNJUKZRHXLMT-UHFFFAOYSA-N
XLogP1.05
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110918076) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is c1cc2c(s1)CCN(CCNC1=NCCCN1)C2.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is SUYNJUKZRHXLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-14-13(15-5-1)16-6-8-17-7-2-12-11(10-17)3-9-18-12/h3,9H,1-2,4-8,10H2,(H2,14,15,16).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 264.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110918076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).