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

C22H25N5O2 — CID 18566664

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)n1
InChIInChI=1S/C22H25N5O2/c1-15-14-20(27(3)4)26-22(23-15)25-18-12-10-17(11-13-18)24-21(28)16(2)29-19-8-6-5-7-9-19/h5-14,16H,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyXRJXYMIKGMTYAM-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.00
Rot. Bonds7

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

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide (PubChem CID 18566664) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide
PubChem CID18566664
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)n1
InChIInChI=1S/C22H25N5O2/c1-15-14-20(27(3)4)26-22(23-15)25-18-12-10-17(11-13-18)24-21(28)16(2)29-19-8-6-5-7-9-19/h5-14,16H,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyXRJXYMIKGMTYAM-UHFFFAOYSA-N
XLogP4.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide (CID 18566664) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide is Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide?
The InChIKey is XRJXYMIKGMTYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-14-20(27(3)4)26-22(23-15)25-18-12-10-17(11-13-18)24-21(28)16(2)29-19-8-6-5-7-9-19/h5-14,16H,1-4H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide has a molecular weight of 391.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 18566664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).