N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine

C14H18N6S — CID 72938446

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCCn2nc(C)nc2C)c2ccsc2n1
InChIInChI=1S/C14H18N6S/c1-9-17-13(12-5-8-21-14(12)18-9)15-6-4-7-20-11(3)16-10(2)19-20/h5,8H,4,6-7H2,1-3H3,(H,15,17,18)
InChIKeyWDSBFLSAPGRNSK-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.71
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 72938446) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID72938446
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCCn2nc(C)nc2C)c2ccsc2n1
InChIInChI=1S/C14H18N6S/c1-9-17-13(12-5-8-21-14(12)18-9)15-6-4-7-20-11(3)16-10(2)19-20/h5,8H,4,6-7H2,1-3H3,(H,15,17,18)
InChIKeyWDSBFLSAPGRNSK-UHFFFAOYSA-N
XLogP2.71
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 72918328
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62193818
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330644
2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol
CID 46986489
2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593
2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 46991915
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-chloro-N-(5-methylsulfanylpentyl)thieno[2,3-d]pyrimidin-4-amine
CID 114128756
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine (CID 72938446) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCCCn2nc(C)nc2C)c2ccsc2n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WDSBFLSAPGRNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-9-17-13(12-5-8-21-14(12)18-9)15-6-4-7-20-11(3)16-10(2)19-20/h5,8H,4,6-7H2,1-3H3,(H,15,17,18).
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 302.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72938446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).