N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide

C23H27N5O — CID 122296273

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide
SMILESCc1nc(Nc2ccc(NC(=O)CCCc3ccccc3)cc2)cc(N(C)C)n1
InChIInChI=1S/C23H27N5O/c1-17-24-21(16-22(25-17)28(2)3)26-19-12-14-20(15-13-19)27-23(29)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-16H,7,10-11H2,1-3H3,(H,27,29)(H,24,25,26)
InChIKeyBPJWNBNJVIEDPP-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.56
Rot. Bonds8

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide (PubChem CID 122296273) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide
PubChem CID122296273
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide
SMILESCc1nc(Nc2ccc(NC(=O)CCCc3ccccc3)cc2)cc(N(C)C)n1
InChIInChI=1S/C23H27N5O/c1-17-24-21(16-22(25-17)28(2)3)26-19-12-14-20(15-13-19)27-23(29)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-16H,7,10-11H2,1-3H3,(H,27,29)(H,24,25,26)
InChIKeyBPJWNBNJVIEDPP-UHFFFAOYSA-N
XLogP4.56
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122296431
N-[4-[[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112872267
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 50748504
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 50748403
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]formamide
CID 168651654
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
1-(3-chlorophenyl)-3-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]urea
CID 50748072
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 50748478
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122297755

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide (CID 122296273) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide is Cc1nc(Nc2ccc(NC(=O)CCCc3ccccc3)cc2)cc(N(C)C)n1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide?
The InChIKey is BPJWNBNJVIEDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-24-21(16-22(25-17)28(2)3)26-19-12-14-20(15-13-19)27-23(29)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-16H,7,10-11H2,1-3H3,(H,27,29)(H,24,25,26).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide has a molecular weight of 389.50 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide is sourced from PubChem (CID 122296273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).