N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H16N4S — CID 114131288

IUPACN-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)(Nc1ncnc2c1CCC2)c1nccs1
InChIInChI=1S/C13H16N4S/c1-13(2,12-14-6-7-18-12)17-11-9-4-3-5-10(9)15-8-16-11/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyWSJDJDHSWDNFDS-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.77
Rot. Bonds3

About N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 114131288) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID114131288
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)(Nc1ncnc2c1CCC2)c1nccs1
InChIInChI=1S/C13H16N4S/c1-13(2,12-14-6-7-18-12)17-11-9-4-3-5-10(9)15-8-16-11/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyWSJDJDHSWDNFDS-UHFFFAOYSA-N
XLogP2.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 114131288) is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC(C)(Nc1ncnc2c1CCC2)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is WSJDJDHSWDNFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-13(2,12-14-6-7-18-12)17-11-9-4-3-5-10(9)15-8-16-11/h6-8H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 260.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 114131288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).