1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea

C17H19N5O2S2 — CID 10309522

IUPAC1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
SMILESCOCCNC(=S)NNc1ncnc2cc(-c3ccc(OC)cc3)sc12
InChIInChI=1S/C17H19N5O2S2/c1-23-8-7-18-17(25)22-21-16-15-13(19-10-20-16)9-14(26-15)11-3-5-12(24-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H2,18,22,25)(H,19,20,21)
InChIKeyXHWINCVXYCAFPN-UHFFFAOYSA-N
MW389.51 g/mol
LogP2.80
Rot. Bonds7

About 1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea

1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea (PubChem CID 10309522) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
PubChem CID10309522
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC Name1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
SMILESCOCCNC(=S)NNc1ncnc2cc(-c3ccc(OC)cc3)sc12
InChIInChI=1S/C17H19N5O2S2/c1-23-8-7-18-17(25)22-21-16-15-13(19-10-20-16)9-14(26-15)11-3-5-12(24-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H2,18,22,25)(H,19,20,21)
InChIKeyXHWINCVXYCAFPN-UHFFFAOYSA-N
XLogP2.80
TPSA80.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
CID 10237271
1-(2,5-dimethoxyphenyl)-3-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]thiourea
CID 58768475
(2R)-1-N-[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]butane-1,2-diamine
CID 166381478
6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 25167010
1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
CID 10309018
1-N-(4-methoxyphenyl)-4-N-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 18383085
6-(4-methoxyphenyl)-N-[(3R)-oxolan-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 166238983
N-(3-ethynylphenyl)-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 18383036
4-[(E)-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzoic acid
CID 10201235
1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methylcarbamothioylamino]thiourea
CID 8654299
3-[4-[3-[(4-methoxyphenyl)methoxy]anilino]thieno[3,2-d]pyrimidin-6-yl]benzaldehyde
CID 89438870
3-chloro-4-(4-methoxyphenyl)-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one
CID 10503106

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea (CID 10309522) is 1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea is COCCNC(=S)NNc1ncnc2cc(-c3ccc(OC)cc3)sc12.
What is the InChIKey of 1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The InChIKey is XHWINCVXYCAFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-23-8-7-18-17(25)22-21-16-15-13(19-10-20-16)9-14(26-15)11-3-5-12(24-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H2,18,22,25)(H,19,20,21).
What are the key properties of 1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea has a molecular weight of 389.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea is sourced from PubChem (CID 10309522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).