2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C21H23N5S — CID 133415436

IUPAC2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCCc4nc5c(s4)CCCC5)n2)CCC3)nc1
InChIInChI=1S/C21H23N5S/c1-2-10-18-16(7-1)24-19(27-18)11-13-23-20-14-6-5-9-15(14)25-21(26-20)17-8-3-4-12-22-17/h3-4,8,12H,1-2,5-7,9-11,13H2,(H,23,25,26)
InChIKeyPXGYHVMJSUIHJT-UHFFFAOYSA-N
MW377.52 g/mol
LogP4.02
Rot. Bonds5

About 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133415436) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID133415436
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC Name2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCCc4nc5c(s4)CCCC5)n2)CCC3)nc1
InChIInChI=1S/C21H23N5S/c1-2-10-18-16(7-1)24-19(27-18)11-13-23-20-14-6-5-9-15(14)25-21(26-20)17-8-3-4-12-22-17/h3-4,8,12H,1-2,5-7,9-11,13H2,(H,23,25,26)
InChIKeyPXGYHVMJSUIHJT-UHFFFAOYSA-N
XLogP4.02
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351510
4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoic acid
CID 122058595
N-(2-phenylethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 18686833
2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 133324076
5,6-dimethyl-2-pyridin-4-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133415480
N-[(4-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 136559621
2-methyl-2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 133344011
N-propyl-2-pyridin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190014
2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine
CID 133415553
2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol
CID 133400357
2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 157030147
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 133415291

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 133415436) is 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1ccc(-c2nc3c(c(NCCc4nc5c(s4)CCCC5)n2)CCC3)nc1.
What is the InChIKey of 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is PXGYHVMJSUIHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-2-10-18-16(7-1)24-19(27-18)11-13-23-20-14-6-5-9-15(14)25-21(26-20)17-8-3-4-12-22-17/h3-4,8,12H,1-2,5-7,9-11,13H2,(H,23,25,26).
What are the key properties of 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 377.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133415436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).