N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine

C15H18N6S — CID 133404145

IUPACN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCn2cnnc2C2CC2)c2ccsc2n1
InChIInChI=1S/C15H18N6S/c1-2-12-18-13(11-5-8-22-15(11)19-12)16-6-7-21-9-17-20-14(21)10-3-4-10/h5,8-10H,2-4,6-7H2,1H3,(H,16,18,19)
InChIKeyOJTYAYXRRULPKZ-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine

N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133404145) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133404145
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCn2cnnc2C2CC2)c2ccsc2n1
InChIInChI=1S/C15H18N6S/c1-2-12-18-13(11-5-8-22-15(11)19-12)16-6-7-21-9-17-20-14(21)10-3-4-10/h5,8-10H,2-4,6-7H2,1H3,(H,16,18,19)
InChIKeyOJTYAYXRRULPKZ-UHFFFAOYSA-N
XLogP2.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133486025
(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
CID 99634099
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404655
2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404269
2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133404349
2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403347
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 133415292

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine (CID 133404145) is N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCCn2cnnc2C2CC2)c2ccsc2n1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OJTYAYXRRULPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-2-12-18-13(11-5-8-22-15(11)19-12)16-6-7-21-9-17-20-14(21)10-3-4-10/h5,8-10H,2-4,6-7H2,1H3,(H,16,18,19).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 314.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133404145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).