N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide

C18H23N5O — CID 3235276

IUPACN,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCN1CCN(c2ncncc2-c2ccc(C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C18H23N5O/c1-21(2)18(24)15-6-4-14(5-7-15)16-12-19-13-20-17(16)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3
InChIKeyYEPAIKYRHLLOMV-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.60
Rot. Bonds3

About N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide

N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 3235276) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID3235276
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCN1CCN(c2ncncc2-c2ccc(C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C18H23N5O/c1-21(2)18(24)15-6-4-14(5-7-15)16-12-19-13-20-17(16)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3
InChIKeyYEPAIKYRHLLOMV-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide (CID 3235276) is N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide is CN1CCN(c2ncncc2-c2ccc(C(=O)N(C)C)cc2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is YEPAIKYRHLLOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-21(2)18(24)15-6-4-14(5-7-15)16-12-19-13-20-17(16)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 325.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 3235276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).