N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide

C20H21N5O — CID 44522262

IUPACN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
SMILESCCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C20H21N5O/c1-3-21-18-13-14(2)22-20(25-18)24-17-11-9-16(10-12-17)23-19(26)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,26)(H2,21,22,24,25)
InChIKeyPELKPFVHNDNLGW-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.21
Rot. Bonds6

About N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide

N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide (PubChem CID 44522262) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
PubChem CID44522262
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide
SMILESCCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C20H21N5O/c1-3-21-18-13-14(2)22-20(25-18)24-17-11-9-16(10-12-17)23-19(26)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,26)(H2,21,22,24,25)
InChIKeyPELKPFVHNDNLGW-UHFFFAOYSA-N
XLogP4.21
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
The IUPAC name of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide (CID 44522262) is N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
The canonical SMILES for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide is CCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
The InChIKey is PELKPFVHNDNLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-3-21-18-13-14(2)22-20(25-18)24-17-11-9-16(10-12-17)23-19(26)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,26)(H2,21,22,24,25).
What are the key properties of N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide?
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]benzamide is sourced from PubChem (CID 44522262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).