3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile

C15H21N5S — CID 103326435

IUPAC3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile
SMILESCCCNc1nc(N(CCC#N)C(C)C)c2ccsc2n1
InChIInChI=1S/C15H21N5S/c1-4-8-17-15-18-13(12-6-10-21-14(12)19-15)20(11(2)3)9-5-7-16/h6,10-11H,4-5,8-9H2,1-3H3,(H,17,18,19)
InChIKeyHYXPDAOEOBTDGC-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.64
Rot. Bonds7

About 3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile

3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile (PubChem CID 103326435) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile
PubChem CID103326435
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile
SMILESCCCNc1nc(N(CCC#N)C(C)C)c2ccsc2n1
InChIInChI=1S/C15H21N5S/c1-4-8-17-15-18-13(12-6-10-21-14(12)19-15)20(11(2)3)9-5-7-16/h6,10-11H,4-5,8-9H2,1-3H3,(H,17,18,19)
InChIKeyHYXPDAOEOBTDGC-UHFFFAOYSA-N
XLogP3.64
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329656
4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325749
2-chloro-N-propan-2-yl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103320555
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 103335528
4-N-methyl-2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324912
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile
CID 103326361
4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327411
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile?
The IUPAC name of 3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile (CID 103326435) is 3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile.
What is the SMILES notation for 3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile?
The canonical SMILES for 3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile is CCCNc1nc(N(CCC#N)C(C)C)c2ccsc2n1.
What is the InChIKey of 3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile?
The InChIKey is HYXPDAOEOBTDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-4-8-17-15-18-13(12-6-10-21-14(12)19-15)20(11(2)3)9-5-7-16/h6,10-11H,4-5,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile?
3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile has a molecular weight of 303.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanenitrile is sourced from PubChem (CID 103326435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).