N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

C17H19N3S — CID 63615787

IUPACN,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(C)c2)nc2sc(CC)cc12
InChIInChI=1S/C17H19N3S/c1-4-13-10-14-16(18-5-2)19-15(20-17(14)21-13)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyDDCRBUNRUDFXKF-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.66
Rot. Bonds4

About N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63615787) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID63615787
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(C)c2)nc2sc(CC)cc12
InChIInChI=1S/C17H19N3S/c1-4-13-10-14-16(18-5-2)19-15(20-17(14)21-13)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyDDCRBUNRUDFXKF-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-diethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63616126
N,6-diethyl-2-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63615625
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 91965311
N-ethyl-5-iodo-6-methyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 66304720
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79516498
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
6-ethyl-N-methyl-2-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 63616457
6-ethyl-N-methyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63616459
N-ethyl-2-(furan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618358
N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965281

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 63615787) is N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(-c2cccc(C)c2)nc2sc(CC)cc12.
What is the InChIKey of N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DDCRBUNRUDFXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-4-13-10-14-16(18-5-2)19-15(20-17(14)21-13)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63615787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).