N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide

C19H26N6O — CID 119126315

IUPACN-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNCC2CCCN2c2cc(NC)ncn2)cc1
InChIInChI=1S/C19H26N6O/c1-20-17-10-18(24-13-23-17)25-9-3-4-16(25)12-22-11-14-5-7-15(8-6-14)19(26)21-2/h5-8,10,13,16,22H,3-4,9,11-12H2,1-2H3,(H,21,26)(H,20,23,24)
InChIKeyMNCJLUZFIRTZIZ-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.64
Rot. Bonds7

About N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide

N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide (PubChem CID 119126315) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
PubChem CID119126315
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNCC2CCCN2c2cc(NC)ncn2)cc1
InChIInChI=1S/C19H26N6O/c1-20-17-10-18(24-13-23-17)25-9-3-4-16(25)12-22-11-14-5-7-15(8-6-14)19(26)21-2/h5-8,10,13,16,22H,3-4,9,11-12H2,1-2H3,(H,21,26)(H,20,23,24)
InChIKeyMNCJLUZFIRTZIZ-UHFFFAOYSA-N
XLogP1.64
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide (CID 119126315) is N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide is CNC(=O)c1ccc(CNCC2CCCN2c2cc(NC)ncn2)cc1.
What is the InChIKey of N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide?
The InChIKey is MNCJLUZFIRTZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-20-17-10-18(24-13-23-17)25-9-3-4-16(25)12-22-11-14-5-7-15(8-6-14)19(26)21-2/h5-8,10,13,16,22H,3-4,9,11-12H2,1-2H3,(H,21,26)(H,20,23,24).
What are the key properties of N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide?
N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide has a molecular weight of 354.46 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 119126315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).