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

C20H17ClN4S — CID 110499132

IUPACN-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2csc3ncnc(Nc4cc(Cl)ccn4)c23)cc1
InChIInChI=1S/C20H17ClN4S/c1-12(2)13-3-5-14(6-4-13)16-10-26-20-18(16)19(23-11-24-20)25-17-9-15(21)7-8-22-17/h3-12H,1-2H3,(H,22,23,24,25)
InChIKeyCOLXFMMHZHTNQL-UHFFFAOYSA-N
MW380.90 g/mol
LogP6.27
Rot. Bonds4

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

N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 110499132) has the molecular formula C20H17ClN4S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID110499132
Molecular FormulaC20H17ClN4S
Molecular Weight380.90 g/mol
Exact Mass380.09
IUPAC NameN-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2csc3ncnc(Nc4cc(Cl)ccn4)c23)cc1
InChIInChI=1S/C20H17ClN4S/c1-12(2)13-3-5-14(6-4-13)16-10-26-20-18(16)19(23-11-24-20)25-17-9-15(21)7-8-22-17/h3-12H,1-2H3,(H,22,23,24,25)
InChIKeyCOLXFMMHZHTNQL-UHFFFAOYSA-N
XLogP6.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-propan-2-ylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110447011
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-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-d]pyrimidin-4-amine
CID 110499123
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-[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
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009781
5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 110496254
4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 21011137
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110502466

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 110499132) is N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is CC(C)c1ccc(-c2csc3ncnc(Nc4cc(Cl)ccn4)c23)cc1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is COLXFMMHZHTNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4S/c1-12(2)13-3-5-14(6-4-13)16-10-26-20-18(16)19(23-11-24-20)25-17-9-15(21)7-8-22-17/h3-12H,1-2H3,(H,22,23,24,25).
What are the key properties of N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 380.90 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110499132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).