N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

C24H25N3S — CID 28695510

IUPACN-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2csc3ncnc(Nc4ccccc4C(C)C)c23)cc1
InChIInChI=1S/C24H25N3S/c1-15(2)17-9-11-18(12-10-17)20-13-28-24-22(20)23(25-14-26-24)27-21-8-6-5-7-19(21)16(3)4/h5-16H,1-4H3,(H,25,26,27)
InChIKeyLEVCTHUYVYUQJT-UHFFFAOYSA-N
MW387.55 g/mol
LogP7.35
Rot. Bonds5

About N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 28695510) has the molecular formula C24H25N3S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID28695510
Molecular FormulaC24H25N3S
Molecular Weight387.55 g/mol
Exact Mass387.18
IUPAC NameN-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2csc3ncnc(Nc4ccccc4C(C)C)c23)cc1
InChIInChI=1S/C24H25N3S/c1-15(2)17-9-11-18(12-10-17)20-13-28-24-22(20)23(25-14-26-24)27-21-8-6-5-7-19(21)16(3)4/h5-16H,1-4H3,(H,25,26,27)
InChIKeyLEVCTHUYVYUQJT-UHFFFAOYSA-N
XLogP7.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011105
1-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]anthracene-9,10-dione
CID 28695432
N-(2-phenoxyphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695605
N-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110499100
5-(4-propan-2-ylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110447011
N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110499132
N-(2-chlorophenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009623
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110502520
N-(1,3-benzodioxol-5-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010031
5-(4-propan-2-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-d]pyrimidin-4-amine
CID 110499123
4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 21011137
N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 110496263

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 28695510) is N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is CC(C)c1ccc(-c2csc3ncnc(Nc4ccccc4C(C)C)c23)cc1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LEVCTHUYVYUQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3S/c1-15(2)17-9-11-18(12-10-17)20-13-28-24-22(20)23(25-14-26-24)27-21-8-6-5-7-19(21)16(3)4/h5-16H,1-4H3,(H,25,26,27).
What are the key properties of N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 387.55 g/mol, XLogP of 7.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28695510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).