N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine

C15H16N4S — CID 16663069

IUPACN-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine
SMILESCc1nc(C#Cc2cnc(NC3CCCC3)nc2)cs1
InChIInChI=1S/C15H16N4S/c1-11-18-14(10-20-11)7-6-12-8-16-15(17-9-12)19-13-4-2-3-5-13/h8-10,13H,2-5H2,1H3,(H,16,17,19)
InChIKeyRRRPPXUUABPEBR-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.00
Rot. Bonds2

About N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine

N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine (PubChem CID 16663069) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine
PubChem CID16663069
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine
SMILESCc1nc(C#Cc2cnc(NC3CCCC3)nc2)cs1
InChIInChI=1S/C15H16N4S/c1-11-18-14(10-20-11)7-6-12-8-16-15(17-9-12)19-13-4-2-3-5-13/h8-10,13H,2-5H2,1H3,(H,16,17,19)
InChIKeyRRRPPXUUABPEBR-UHFFFAOYSA-N
XLogP3.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine (CID 16663069) is N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine is Cc1nc(C#Cc2cnc(NC3CCCC3)nc2)cs1.
What is the InChIKey of N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine?
The InChIKey is RRRPPXUUABPEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-18-14(10-20-11)7-6-12-8-16-15(17-9-12)19-13-4-2-3-5-13/h8-10,13H,2-5H2,1H3,(H,16,17,19).
What are the key properties of N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine?
N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine is sourced from PubChem (CID 16663069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).