4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine

C24H27N7S — CID 11339781

IUPAC4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(C)N1CC2CC1CN2c1nc(-c2ccnc(NCc3cccs3)c2)cc2nccn12
InChIInChI=1S/C24H27N7S/c1-16(2)30-14-19-11-18(30)15-31(19)24-28-21(12-23-26-7-8-29(23)24)17-5-6-25-22(10-17)27-13-20-4-3-9-32-20/h3-10,12,16,18-19H,11,13-15H2,1-2H3,(H,25,27)
InChIKeyUZMVAQHTSCQDAS-UHFFFAOYSA-N
MW445.60 g/mol
LogP4.14
Rot. Bonds6

About 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine

4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 11339781) has the molecular formula C24H27N7S and a molecular weight of 445.60 g/mol. Its IUPAC name is 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID11339781
Molecular FormulaC24H27N7S
Molecular Weight445.60 g/mol
Exact Mass445.20
IUPAC Name4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(C)N1CC2CC1CN2c1nc(-c2ccnc(NCc3cccs3)c2)cc2nccn12
InChIInChI=1S/C24H27N7S/c1-16(2)30-14-19-11-18(30)15-31(19)24-28-21(12-23-26-7-8-29(23)24)17-5-6-25-22(10-17)27-13-20-4-3-9-32-20/h3-10,12,16,18-19H,11,13-15H2,1-2H3,(H,25,27)
InChIKeyUZMVAQHTSCQDAS-UHFFFAOYSA-N
XLogP4.14
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 11339781) is 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine is CC(C)N1CC2CC1CN2c1nc(-c2ccnc(NCc3cccs3)c2)cc2nccn12.
What is the InChIKey of 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is UZMVAQHTSCQDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7S/c1-16(2)30-14-19-11-18(30)15-31(19)24-28-21(12-23-26-7-8-29(23)24)17-5-6-25-22(10-17)27-13-20-4-3-9-32-20/h3-10,12,16,18-19H,11,13-15H2,1-2H3,(H,25,27).
What are the key properties of 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine?
4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 445.60 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)imidazo[1,2-c]pyrimidin-7-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 11339781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).