[5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol

C16H18ClN5OS — CID 143513636

IUPAC[5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol
SMILESCCNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(O)NC)sc2n1
InChIInChI=1S/C16H18ClN5OS/c1-3-20-16-21-12(8-4-6-9(17)7-5-8)10-11(18)13(14(23)19-2)24-15(10)22-16/h4-7,14,19,23H,3,18H2,1-2H3,(H,20,21,22)
InChIKeyIGKDYAZJUDRWNA-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.24
Rot. Bonds5

About [5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol

[5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol (PubChem CID 143513636) has the molecular formula C16H18ClN5OS and a molecular weight of 363.87 g/mol. Its IUPAC name is [5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol.

Molecular Properties

Compound Name[5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol
PubChem CID143513636
Molecular FormulaC16H18ClN5OS
Molecular Weight363.87 g/mol
Exact Mass363.09
IUPAC Name[5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol
SMILESCCNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(O)NC)sc2n1
InChIInChI=1S/C16H18ClN5OS/c1-3-20-16-21-12(8-4-6-9(17)7-5-8)10-11(18)13(14(23)19-2)24-15(10)22-16/h4-7,14,19,23H,3,18H2,1-2H3,(H,20,21,22)
InChIKeyIGKDYAZJUDRWNA-UHFFFAOYSA-N
XLogP3.24
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
CID 59647295
1-[5-amino-4-(3,4-dichlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one
CID 59647170
5-amino-4-(4-chlorophenyl)-2-(2-methoxyethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 69303095
5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;N-methylmethanamine
CID 143513606
5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24739451
3-[[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]amino]propanamide
CID 59647340
2-[[5-amino-6-[amino(hydroxy)methyl]-4-(3,4-dichloro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-2-yl]amino]-2-methylpropan-1-ol
CID 143513597
1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647364
5-amino-4-(4-chlorophenyl)-2-methylthieno[2,3-d]pyrimidine-6-carbothioic S-acid
CID 87957723
2,5-diamino-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carbaldehyde
CID 143513623
5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513310
5-amino-4-(3,4-dichlorophenyl)-2-(3-methoxypropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647118

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol?
The IUPAC name of [5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol (CID 143513636) is [5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol.
What is the SMILES notation for [5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol?
The canonical SMILES for [5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol is CCNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(O)NC)sc2n1.
What is the InChIKey of [5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol?
The InChIKey is IGKDYAZJUDRWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5OS/c1-3-20-16-21-12(8-4-6-9(17)7-5-8)10-11(18)13(14(23)19-2)24-15(10)22-16/h4-7,14,19,23H,3,18H2,1-2H3,(H,20,21,22).
What are the key properties of [5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol?
[5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol has a molecular weight of 363.87 g/mol, XLogP of 3.24, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-(4-chlorophenyl)-2-(ethylamino)thieno[2,3-d]pyrimidin-6-yl]-(methylamino)methanol is sourced from PubChem (CID 143513636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).