2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide

C23H22N6OS — CID 57407148

IUPAC2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)(C)c3ccc(-c4cnc(N)nc4)cc3)nc2)cs1
InChIInChI=1S/C23H22N6OS/c1-14-28-19(13-31-14)16-6-9-20(25-10-16)29-21(30)23(2,3)18-7-4-15(5-8-18)17-11-26-22(24)27-12-17/h4-13H,1-3H3,(H2,24,26,27)(H,25,29,30)
InChIKeyCLFCNVUWJHYSBM-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.47
Rot. Bonds5

About 2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide

2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide (PubChem CID 57407148) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide
PubChem CID57407148
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC Name2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)(C)c3ccc(-c4cnc(N)nc4)cc3)nc2)cs1
InChIInChI=1S/C23H22N6OS/c1-14-28-19(13-31-14)16-6-9-20(25-10-16)29-21(30)23(2,3)18-7-4-15(5-8-18)17-11-26-22(24)27-12-17/h4-13H,1-3H3,(H2,24,26,27)(H,25,29,30)
InChIKeyCLFCNVUWJHYSBM-UHFFFAOYSA-N
XLogP4.47
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide?
The IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide (CID 57407148) is 2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide is Cc1nc(-c2ccc(NC(=O)C(C)(C)c3ccc(-c4cnc(N)nc4)cc3)nc2)cs1.
What is the InChIKey of 2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide?
The InChIKey is CLFCNVUWJHYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c1-14-28-19(13-31-14)16-6-9-20(25-10-16)29-21(30)23(2,3)18-7-4-15(5-8-18)17-11-26-22(24)27-12-17/h4-13H,1-3H3,(H2,24,26,27)(H,25,29,30).
What are the key properties of 2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide?
2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide has a molecular weight of 430.54 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopyrimidin-5-yl)phenyl]-2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 57407148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).