2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine

C16H22N4O — CID 3234572

IUPAC2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(-c2ccccc2CN(C)C)n1
InChIInChI=1S/C16H22N4O/c1-20(2)12-13-6-4-5-7-14(13)16-18-9-8-15(19-16)17-10-11-21-3/h4-9H,10-12H2,1-3H3,(H,17,18,19)
InChIKeyHFPWEIRNAPIVQX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds7

About 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine

2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 3234572) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID3234572
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(-c2ccccc2CN(C)C)n1
InChIInChI=1S/C16H22N4O/c1-20(2)12-13-6-4-5-7-14(13)16-18-9-8-15(19-16)17-10-11-21-3/h4-9H,10-12H2,1-3H3,(H,17,18,19)
InChIKeyHFPWEIRNAPIVQX-UHFFFAOYSA-N
XLogP2.26
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4s)-3-(2-{[(1s)-1-Phenylethyl]amino}pyrimidin-4-Yl)-4-(Propan-2-Yl)-1,3-Oxazolidin-2-One
CID 89490055
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
2,4-Pyrimidinediamine, N4-[[4-[[(2-chloro-5-fluoro-4-pyrimidinyl)amino]methyl]phenyl]methyl]-N2-[2-(4-morpholinyl)ethyl]-
CID 49857283
Pyrimidine, 2-((1-benzyl-4-piperidyl)amino)-
CID 3059129
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)benzylamine
CID 660212
2-((2-(3,4-Dihydroisoquinolin-2(1H)-yl)pyridin-4-yl)amino)ethanol
CID 9816863
2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-pyridin-4-ylamino]-ethanol
CID 9943680
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 9945703
N-{[1-(3-phenylpropyl)piperidin-4-yl]methyl}pyrimidin-2-amine
CID 16109401
4-[Benzyl(2,2-dimethylpropyl)amino]pyrimidine-2-carbonitrile
CID 25008106

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine (CID 3234572) is 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1ccnc(-c2ccccc2CN(C)C)n1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is HFPWEIRNAPIVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20(2)12-13-6-4-5-7-14(13)16-18-9-8-15(19-16)17-10-11-21-3/h4-9H,10-12H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine?
2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).