N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine

C21H28N4S — CID 110496263

IUPACN',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2scc(-c3ccc(C(C)C)cc3)c12
InChIInChI=1S/C21H28N4S/c1-5-25(6-2)12-11-22-20-19-18(13-26-21(19)24-14-23-20)17-9-7-16(8-10-17)15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,23,24)
InChIKeyQKQPIXJPHJWHAU-UHFFFAOYSA-N
MW368.55 g/mol
LogP5.24
Rot. Bonds8

About N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine

N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 110496263) has the molecular formula C21H28N4S and a molecular weight of 368.55 g/mol. Its IUPAC name is N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID110496263
Molecular FormulaC21H28N4S
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC NameN',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2scc(-c3ccc(C(C)C)cc3)c12
InChIInChI=1S/C21H28N4S/c1-5-25(6-2)12-11-22-20-19-18(13-26-21(19)24-14-23-20)17-9-7-16(8-10-17)15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,23,24)
InChIKeyQKQPIXJPHJWHAU-UHFFFAOYSA-N
XLogP5.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 2076539
5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 110496254
N-(3-imidazol-1-ylpropyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110496280
N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695510
N-(2-methylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011105
N-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110499100
N,N-bis(2-methoxyethyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110497877
5-(4-propan-2-ylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110447011
(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 9310899
N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110499132
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 28850288
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 92725820

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine (CID 110496263) is N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine is CCN(CC)CCNc1ncnc2scc(-c3ccc(C(C)C)cc3)c12.
What is the InChIKey of N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is QKQPIXJPHJWHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4S/c1-5-25(6-2)12-11-22-20-19-18(13-26-21(19)24-14-23-20)17-9-7-16(8-10-17)15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,23,24).
What are the key properties of N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 368.55 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 110496263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).