4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline

C17H17N5O — CID 66970372

IUPAC4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline
SMILESCc1cc(N)ccc1Oc1ncccc1-c1ccnc(CN)n1
InChIInChI=1S/C17H17N5O/c1-11-9-12(19)4-5-15(11)23-17-13(3-2-7-21-17)14-6-8-20-16(10-18)22-14/h2-9H,10,18-19H2,1H3
InChIKeyDUGAUHXFZNRTMV-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.68
Rot. Bonds4

About 4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline

4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline (PubChem CID 66970372) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline.

Molecular Properties

Compound Name4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline
PubChem CID66970372
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline
SMILESCc1cc(N)ccc1Oc1ncccc1-c1ccnc(CN)n1
InChIInChI=1S/C17H17N5O/c1-11-9-12(19)4-5-15(11)23-17-13(3-2-7-21-17)14-6-8-20-16(10-18)22-14/h2-9H,10,18-19H2,1H3
InChIKeyDUGAUHXFZNRTMV-UHFFFAOYSA-N
XLogP2.68
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide
CID 58396397
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 58397001
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
3-methyl-4-pyridin-2-yloxyaniline
CID 69194589
4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide
CID 58396174
4-[2-(2-fluorophenoxy)-3-pyridinyl]pyrimidin-2-amine
CID 141385805
[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methanamine
CID 82477561
3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline
CID 62254600
1-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1-[2-(2-methylphenyl)ethyl]urea
CID 69375796
tert-butyl N-[(1R)-2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylanilino]-2-oxo-1-phenylethyl]carbamate
CID 147730291
4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline
CID 68537192
3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732228

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline?
The IUPAC name of 4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline (CID 66970372) is 4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline.
What is the SMILES notation for 4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline?
The canonical SMILES for 4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline is Cc1cc(N)ccc1Oc1ncccc1-c1ccnc(CN)n1.
What is the InChIKey of 4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline?
The InChIKey is DUGAUHXFZNRTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-9-12(19)4-5-15(11)23-17-13(3-2-7-21-17)14-6-8-20-16(10-18)22-14/h2-9H,10,18-19H2,1H3.
What are the key properties of 4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline?
4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline has a molecular weight of 307.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(aminomethyl)pyrimidin-4-yl]-2-pyridinyl]oxy]-3-methylaniline is sourced from PubChem (CID 66970372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).