N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide

C23H28N6O2 — CID 141223965

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESCc1nc(NC2CCC(NC(=O)c3ccc(-c4cnco4)cc3)CC2)cc(N(C)C)n1
InChIInChI=1S/C23H28N6O2/c1-15-25-21(12-22(26-15)29(2)3)27-18-8-10-19(11-9-18)28-23(30)17-6-4-16(5-7-17)20-13-24-14-31-20/h4-7,12-14,18-19H,8-11H2,1-3H3,(H,28,30)(H,25,26,27)
InChIKeyPWDYDQNGRROODH-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.66
Rot. Bonds6

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 141223965) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID141223965
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESCc1nc(NC2CCC(NC(=O)c3ccc(-c4cnco4)cc3)CC2)cc(N(C)C)n1
InChIInChI=1S/C23H28N6O2/c1-15-25-21(12-22(26-15)29(2)3)27-18-8-10-19(11-9-18)28-23(30)17-6-4-16(5-7-17)20-13-24-14-31-20/h4-7,12-14,18-19H,8-11H2,1-3H3,(H,28,30)(H,25,26,27)
InChIKeyPWDYDQNGRROODH-UHFFFAOYSA-N
XLogP3.66
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide (CID 141223965) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide is Cc1nc(NC2CCC(NC(=O)c3ccc(-c4cnco4)cc3)CC2)cc(N(C)C)n1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is PWDYDQNGRROODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-25-21(12-22(26-15)29(2)3)27-18-8-10-19(11-9-18)28-23(30)17-6-4-16(5-7-17)20-13-24-14-31-20/h4-7,12-14,18-19H,8-11H2,1-3H3,(H,28,30)(H,25,26,27).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 420.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 141223965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).