2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H25Cl2N5OS — CID 143009781

IUPAC2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)C(CN(C)C)NC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C21H25Cl2N5OS/c1-5-11(2)16(10-28(3)4)25-19(29)17-9-14-18(26-21(24)27-20(14)30-17)13-7-6-12(22)8-15(13)23/h6-9,11,16H,5,10H2,1-4H3,(H,25,29)(H2,24,26,27)
InChIKeyGEQUFOOPNVKQMG-UHFFFAOYSA-N
MW466.44 g/mol
LogP4.95
Rot. Bonds7

About 2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 143009781) has the molecular formula C21H25Cl2N5OS and a molecular weight of 466.44 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID143009781
Molecular FormulaC21H25Cl2N5OS
Molecular Weight466.44 g/mol
Exact Mass465.12
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)C(CN(C)C)NC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C21H25Cl2N5OS/c1-5-11(2)16(10-28(3)4)25-19(29)17-9-14-18(26-21(24)27-20(14)30-17)13-7-6-12(22)8-15(13)23/h6-9,11,16H,5,10H2,1-4H3,(H,25,29)(H2,24,26,27)
InChIKeyGEQUFOOPNVKQMG-UHFFFAOYSA-N
XLogP4.95
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 143009781) is 2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide is CCC(C)C(CN(C)C)NC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)nc(N)nc2s1.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GEQUFOOPNVKQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5OS/c1-5-11(2)16(10-28(3)4)25-19(29)17-9-14-18(26-21(24)27-20(14)30-17)13-7-6-12(22)8-15(13)23/h6-9,11,16H,5,10H2,1-4H3,(H,25,29)(H2,24,26,27).
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 466.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 143009781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).