N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine

C14H20N4S2 — CID 103325584

IUPACN-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(N2CCCSCC2)c2ccsc2n1
InChIInChI=1S/C14H20N4S2/c1-2-5-15-14-16-12(11-4-9-20-13(11)17-14)18-6-3-8-19-10-7-18/h4,9H,2-3,5-8,10H2,1H3,(H,15,16,17)
InChIKeyUPPHLPVEPBCDAC-UHFFFAOYSA-N
MW308.48 g/mol
LogP3.46
Rot. Bonds4

About N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine

N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103325584) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103325584
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC NameN-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(N2CCCSCC2)c2ccsc2n1
InChIInChI=1S/C14H20N4S2/c1-2-5-15-14-16-12(11-4-9-20-13(11)17-14)18-6-3-8-19-10-7-18/h4,9H,2-3,5-8,10H2,1H3,(H,15,16,17)
InChIKeyUPPHLPVEPBCDAC-UHFFFAOYSA-N
XLogP3.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103328302
N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323789
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103325159
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674469
4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327411
4-N-(2-cyclobutylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330068
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327477
[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334986
1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide
CID 103331174
N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327814

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103325584) is N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine is CCCNc1nc(N2CCCSCC2)c2ccsc2n1.
What is the InChIKey of N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is UPPHLPVEPBCDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-2-5-15-14-16-12(11-4-9-20-13(11)17-14)18-6-3-8-19-10-7-18/h4,9H,2-3,5-8,10H2,1H3,(H,15,16,17).
What are the key properties of N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 308.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103325584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).