2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine

C15H18ClN3S — CID 95506871

IUPAC2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC(=C)c1nc(Cl)c2cc(CCC)sc2n1
InChIInChI=1S/C15H18ClN3S/c1-4-6-11-8-12-13(16)18-14(19-15(12)20-11)10(3)9-17-7-5-2/h5,8,17H,2-4,6-7,9H2,1H3
InChIKeyYJSJVVOBZYYXPN-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.09
Rot. Bonds7

About 2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine

2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 95506871) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID95506871
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC(=C)c1nc(Cl)c2cc(CCC)sc2n1
InChIInChI=1S/C15H18ClN3S/c1-4-6-11-8-12-13(16)18-14(19-15(12)20-11)10(3)9-17-7-5-2/h5,8,17H,2-4,6-7,9H2,1H3
InChIKeyYJSJVVOBZYYXPN-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N,N-dimethyl-6-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309241
4-chloro-2-(4-ethylpiperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 82309158
4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine
CID 82309139
disodium;6-hexyl-4-oxidothieno[2,3-d]pyrimidine-2-carboxylate;hydrate
CID 90672964
4-chloro-6-ethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 65144576
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]prop-2-en-1-amine
CID 79529056
1-(3-methyltriazol-4-yl)-2-(prop-2-enylamino)ethanone
CID 114692177
4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde
CID 88740644
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
6-ethyl-N-methyl-4-(2-propylimidazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331127
4,9,15,20-tetrapropyl-3,10,14,21-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,8,11,13(17),15,18(22),19-nonaene
CID 177402898
2-chloro-5-propyl-1,3-thiazole
CID 56625607

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of 2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine (CID 95506871) is 2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for 2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for 2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine is C=CCNCC(=C)c1nc(Cl)c2cc(CCC)sc2n1.
What is the InChIKey of 2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is YJSJVVOBZYYXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-4-6-11-8-12-13(16)18-14(19-15(12)20-11)10(3)9-17-7-5-2/h5,8,17H,2-4,6-7,9H2,1H3.
What are the key properties of 2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine?
2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 307.85 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-propylthieno[2,3-d]pyrimidin-2-yl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 95506871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).