N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C14H15N5S2 — CID 63695901

IUPACN-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CSc2ccncn2)nc2sccc12
InChIInChI=1S/C14H15N5S2/c1-2-5-16-13-10-4-7-20-14(10)19-11(18-13)8-21-12-3-6-15-9-17-12/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,18,19)
InChIKeyHTMOLBWETWUNML-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.60
Rot. Bonds6

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

N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63695901) has the molecular formula C14H15N5S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID63695901
Molecular FormulaC14H15N5S2
Molecular Weight317.44 g/mol
Exact Mass317.08
IUPAC NameN-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CSc2ccncn2)nc2sccc12
InChIInChI=1S/C14H15N5S2/c1-2-5-16-13-10-4-7-20-14(10)19-11(18-13)8-21-12-3-6-15-9-17-12/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,18,19)
InChIKeyHTMOLBWETWUNML-UHFFFAOYSA-N
XLogP3.60
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63381541
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189107
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
N-ethyl-2-(thiophen-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55045080
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 106495744
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62189284
2-(4-methyl-3-pyridinyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 114878694
2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485368
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 63695901) is N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CSc2ccncn2)nc2sccc12.
What is the InChIKey of N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HTMOLBWETWUNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S2/c1-2-5-16-13-10-4-7-20-14(10)19-11(18-13)8-21-12-3-6-15-9-17-12/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,18,19).
What are the key properties of N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63695901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).