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

C16H13Cl2N5O2S — CID 59519323

IUPAC2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESC[C@H](NC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)nc(N)nc2s1)C(N)=O
InChIInChI=1S/C16H13Cl2N5O2S/c1-6(13(19)24)21-14(25)11-5-9-12(22-16(20)23-15(9)26-11)8-3-2-7(17)4-10(8)18/h2-6H,1H3,(H2,19,24)(H,21,25)(H2,20,22,23)/t6-/m0/s1
InChIKeyDXVJVIDXRIRDAC-LURJTMIESA-N
MW410.29 g/mol
LogP2.85
Rot. Bonds4

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

2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59519323) has the molecular formula C16H13Cl2N5O2S and a molecular weight of 410.29 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59519323
Molecular FormulaC16H13Cl2N5O2S
Molecular Weight410.29 g/mol
Exact Mass409.02
IUPAC Name2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESC[C@H](NC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)nc(N)nc2s1)C(N)=O
InChIInChI=1S/C16H13Cl2N5O2S/c1-6(13(19)24)21-14(25)11-5-9-12(22-16(20)23-15(9)26-11)8-3-2-7(17)4-10(8)18/h2-6H,1H3,(H2,19,24)(H,21,25)(H2,20,22,23)/t6-/m0/s1
InChIKeyDXVJVIDXRIRDAC-LURJTMIESA-N
XLogP2.85
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 59519323) is 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is C[C@H](NC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)nc(N)nc2s1)C(N)=O.
What is the InChIKey of 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DXVJVIDXRIRDAC-LURJTMIESA-N. The full InChI is InChI=1S/C16H13Cl2N5O2S/c1-6(13(19)24)21-14(25)11-5-9-12(22-16(20)23-15(9)26-11)8-3-2-7(17)4-10(8)18/h2-6H,1H3,(H2,19,24)(H,21,25)(H2,20,22,23)/t6-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 410.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59519323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).