N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C20H22N4OS — CID 45249432

IUPACN,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)sc2ncnc(NC3CCCc4ccccc43)c12
InChIInChI=1S/C20H22N4OS/c1-12-16-18(21-11-22-19(16)26-17(12)20(25)24(2)3)23-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,11,15H,6,8,10H2,1-3H3,(H,21,22,23)
InChIKeyCCZLETGSUGWSQW-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.19
Rot. Bonds3

About N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide

N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45249432) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45249432
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C)sc2ncnc(NC3CCCc4ccccc43)c12
InChIInChI=1S/C20H22N4OS/c1-12-16-18(21-11-22-19(16)26-17(12)20(25)24(2)3)23-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,11,15H,6,8,10H2,1-3H3,(H,21,22,23)
InChIKeyCCZLETGSUGWSQW-UHFFFAOYSA-N
XLogP4.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-5-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45166915
[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 26344574
5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 17430283
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167897143
N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42418902
(2R)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7887400
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648
4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide
CID 22520847
4-N,4-N-dimethyl-6-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 122282114
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477727
4-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 40647285
4-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 40647286

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45249432) is N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C)sc2ncnc(NC3CCCc4ccccc43)c12.
What is the InChIKey of N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CCZLETGSUGWSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-12-16-18(21-11-22-19(16)26-17(12)20(25)24(2)3)23-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,11,15H,6,8,10H2,1-3H3,(H,21,22,23).
What are the key properties of N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45249432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).