4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide

C20H29N5O — CID 117088772

IUPAC4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide
SMILESCc1cc(NCCN(C(C)C)C(C)C)nc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C20H29N5O/c1-13(2)25(14(3)4)11-10-22-18-12-15(5)23-20(24-18)17-8-6-16(7-9-17)19(21)26/h6-9,12-14H,10-11H2,1-5H3,(H2,21,26)(H,22,23,24)
InChIKeyIFKYTMNEPVFGCN-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.08
Rot. Bonds8

About 4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide

4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide (PubChem CID 117088772) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide
PubChem CID117088772
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide
SMILESCc1cc(NCCN(C(C)C)C(C)C)nc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C20H29N5O/c1-13(2)25(14(3)4)11-10-22-18-12-15(5)23-20(24-18)17-8-6-16(7-9-17)19(21)26/h6-9,12-14H,10-11H2,1-5H3,(H2,21,26)(H,22,23,24)
InChIKeyIFKYTMNEPVFGCN-UHFFFAOYSA-N
XLogP3.08
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide?
The IUPAC name of 4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide (CID 117088772) is 4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide?
The canonical SMILES for 4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide is Cc1cc(NCCN(C(C)C)C(C)C)nc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide?
The InChIKey is IFKYTMNEPVFGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-13(2)25(14(3)4)11-10-22-18-12-15(5)23-20(24-18)17-8-6-16(7-9-17)19(21)26/h6-9,12-14H,10-11H2,1-5H3,(H2,21,26)(H,22,23,24).
What are the key properties of 4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide?
4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide has a molecular weight of 355.49 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]benzamide is sourced from PubChem (CID 117088772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).