N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide

C18H25N5O — CID 51096909

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCCN(C)Cc1cccc(CNC(=O)CCNc2ncccn2)c1
InChIInChI=1S/C18H25N5O/c1-3-23(2)14-16-7-4-6-15(12-16)13-22-17(24)8-11-21-18-19-9-5-10-20-18/h4-7,9-10,12H,3,8,11,13-14H2,1-2H3,(H,22,24)(H,19,20,21)
InChIKeyRCJUFDOAHOLYQD-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.05
Rot. Bonds9

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 51096909) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
PubChem CID51096909
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
SMILESCCN(C)Cc1cccc(CNC(=O)CCNc2ncccn2)c1
InChIInChI=1S/C18H25N5O/c1-3-23(2)14-16-7-4-6-15(12-16)13-22-17(24)8-11-21-18-19-9-5-10-20-18/h4-7,9-10,12H,3,8,11,13-14H2,1-2H3,(H,22,24)(H,19,20,21)
InChIKeyRCJUFDOAHOLYQD-UHFFFAOYSA-N
XLogP2.05
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
CID 47074469
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]isoquinoline-1-carboxamide
CID 52822157
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 47076234
3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55840624
(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
CID 95145860
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430735
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62418750
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110967692
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 47074456
2-[(1S)-cyclopent-2-en-1-yl]-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]acetamide
CID 94797406
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119862556

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide (CID 51096909) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide is CCN(C)Cc1cccc(CNC(=O)CCNc2ncccn2)c1.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is RCJUFDOAHOLYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-23(2)14-16-7-4-6-15(12-16)13-22-17(24)8-11-21-18-19-9-5-10-20-18/h4-7,9-10,12H,3,8,11,13-14H2,1-2H3,(H,22,24)(H,19,20,21).
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 51096909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).